1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one

C8H14N2O — CID 96680756

IUPAC1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1CN
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-5-3-4-7(10)6-9/h2,7H,1,3-6,9H2/t7-/m1/s1
InChIKeyUAXVQKWGVCMCAP-SSDOTTSWSA-N
MW154.21 g/mol
LogP0.12
Rot. Bonds2

About 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one

1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 96680756) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID96680756
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1CN
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-5-3-4-7(10)6-9/h2,7H,1,3-6,9H2/t7-/m1/s1
InChIKeyUAXVQKWGVCMCAP-SSDOTTSWSA-N
XLogP0.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.12
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

1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate
CID 157364720
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one (CID 96680756) is 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H]1CN.
What is the InChIKey of 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is UAXVQKWGVCMCAP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-8(11)10-5-3-4-7(10)6-9/h2,7H,1,3-6,9H2/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one?
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 96680756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).