N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C18H23N3O2 — CID 95192328

IUPACN-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESC/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-14(10-16-4-3-9-23-16)12-21-8-6-15(13-21)11-20-18(22)17-5-2-7-19-17/h2-5,7,9-10,15,19H,6,8,11-13H2,1H3,(H,20,22)/b14-10+/t15-/m0/s1
InChIKeyOIKSSRRCEQIUQK-IPJDOKCGSA-N
MW313.40 g/mol
LogP2.76
Rot. Bonds6

About N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 95192328) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID95192328
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESC/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-14(10-16-4-3-9-23-16)12-21-8-6-15(13-21)11-20-18(22)17-5-2-7-19-17/h2-5,7,9-10,15,19H,6,8,11-13H2,1H3,(H,20,22)/b14-10+/t15-/m0/s1
InChIKeyOIKSSRRCEQIUQK-IPJDOKCGSA-N
XLogP2.76
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 95202988
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 97174691
N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95207080
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
(2S)-4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(2-methoxyethyl)morpholine
CID 95147358
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95187962
N-[[(3S)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]methyl]-2-pyridin-4-ylacetamide
CID 95211378
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 95191546

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 95192328) is N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2ccc[nH]2)C1.
What is the InChIKey of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OIKSSRRCEQIUQK-IPJDOKCGSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(10-16-4-3-9-23-16)12-21-8-6-15(13-21)11-20-18(22)17-5-2-7-19-17/h2-5,7,9-10,15,19H,6,8,11-13H2,1H3,(H,20,22)/b14-10+/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95192328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).