1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol

C8H16N2O — CID 103070390

IUPAC1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CN)CN1CCC(O)C1
InChIInChI=1S/C8H16N2O/c1-7(4-9)5-10-3-2-8(11)6-10/h8,11H,1-6,9H2
InChIKeyVGZUEDOLNQSZEW-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.43
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol

1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol (PubChem CID 103070390) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol
PubChem CID103070390
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CN)CN1CCC(O)C1
InChIInChI=1S/C8H16N2O/c1-7(4-9)5-10-3-2-8(11)6-10/h8,11H,1-6,9H2
InChIKeyVGZUEDOLNQSZEW-UHFFFAOYSA-N
XLogP-0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol 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

(3S)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
CID 150775197
(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
CID 150775198
4-Amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol
CID 171788286
1-(Prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729317
1-(2-Methylprop-2-enyl)pyrrolidin-3-ol
CID 62917692
(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-ol
CID 64117018
1-[2-(Aminomethyl)prop-2-enyl-methylamino]propan-2-ol
CID 103070336
1-[2-(Methylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070387
1-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070388
1-[2-(Ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070389
1-[2-[(Tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070391
1-[2-(Propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol (CID 103070390) is 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol is C=C(CN)CN1CCC(O)C1.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol?
The InChIKey is VGZUEDOLNQSZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(4-9)5-10-3-2-8(11)6-10/h8,11H,1-6,9H2.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol?
1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol has a molecular weight of 156.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 103070390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).