N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide

C12H20N2O — CID 114793726

IUPACN-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCC1CCCN1)C1CC=CC1
InChIInChI=1S/C12H20N2O/c15-12(10-4-1-2-5-10)14-9-7-11-6-3-8-13-11/h1-2,10-11,13H,3-9H2,(H,14,15)
InChIKeyRLFZGSQQQYUVMI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.21
Rot. Bonds4

About N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide

N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 114793726) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide
PubChem CID114793726
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCC1CCCN1)C1CC=CC1
InChIInChI=1S/C12H20N2O/c15-12(10-4-1-2-5-10)14-9-7-11-6-3-8-13-11/h1-2,10-11,13H,3-9H2,(H,14,15)
InChIKeyRLFZGSQQQYUVMI-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893460
N-[2-[(2S)-piperidin-2-yl]ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 124681379
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972266
2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 104954995
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114793916
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide
CID 104971935
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide (CID 114793726) is N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide is O=C(NCCC1CCCN1)C1CC=CC1.
What is the InChIKey of N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is RLFZGSQQQYUVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(10-4-1-2-5-10)14-9-7-11-6-3-8-13-11/h1-2,10-11,13H,3-9H2,(H,14,15).
What are the key properties of N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide?
N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 208.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 114793726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).