(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one

C8H14N2O — CID 125425373

IUPAC(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(CN)CCNC1=O
InChIInChI=1S/C8H14N2O/c1-2-3-8(6-9)4-5-10-7(8)11/h2H,1,3-6,9H2,(H,10,11)/t8-/m1/s1
InChIKeyCMVQRYJISCOYFW-MRVPVSSYSA-N
MW154.21 g/mol
LogP0.03
Rot. Bonds3

About (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one

(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one (PubChem CID 125425373) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one
PubChem CID125425373
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(CN)CCNC1=O
InChIInChI=1S/C8H14N2O/c1-2-3-8(6-9)4-5-10-7(8)11/h2H,1,3-6,9H2,(H,10,11)/t8-/m1/s1
InChIKeyCMVQRYJISCOYFW-MRVPVSSYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.03
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

(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125426256
(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 125425353
3,3-bis(prop-2-enyl)piperidin-2-one;tert-butyl formate
CID 174764189
ethyl (3S)-2-oxo-3-prop-2-enylpiperidine-3-carboxylate
CID 138616102
5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 23359507
(3S)-3-ethyl-1-[(E)-4-[(3S)-3-ethyl-2-oxopiperidin-3-yl]but-2-enyl]-3-prop-2-enylpiperidin-2-one
CID 146608070
(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
CID 165109302
3-ethyl-3-hydroxypyrrolidin-2-one
CID 123912122
3,3-diethylpiperidin-2-one
CID 10329495
5,5-bis(prop-2-enyl)-(2,4,5,6-13C4)1,3-diazinane-2,4,6-trione
CID 76974294
3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one
CID 83530805
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one (CID 125425373) is (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one is C=CC[C@]1(CN)CCNC1=O.
What is the InChIKey of (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is CMVQRYJISCOYFW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-8(6-9)4-5-10-7(8)11/h2H,1,3-6,9H2,(H,10,11)/t8-/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one?
(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 125425373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).