N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide

C15H20N2O — CID 167927460

IUPACN-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-15(18)16-11-14-9-6-10-17(14)12-13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,16,18)/t14-/m0/s1
InChIKeySCTBMOBQNDIINN-AWEZNQCLSA-N
MW244.34 g/mol
LogP1.95
Rot. Bonds5

About N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide

N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide (PubChem CID 167927460) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
PubChem CID167927460
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-15(18)16-11-14-9-6-10-17(14)12-13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,16,18)/t14-/m0/s1
InChIKeySCTBMOBQNDIINN-AWEZNQCLSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
CID 166207297
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119888681
1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
CID 111337614
N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888680
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide
CID 95769578

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide (CID 167927460) is N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide is C=CC(=O)NC[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide?
The InChIKey is SCTBMOBQNDIINN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15(18)16-11-14-9-6-10-17(14)12-13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide?
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide has a molecular weight of 244.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 167927460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).