1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine

C9H15N3 — CID 145197702

IUPAC1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine
SMILESC=C/N=C/C(=C)N1CCC(N)C1
InChIInChI=1S/C9H15N3/c1-3-11-6-8(2)12-5-4-9(10)7-12/h3,6,9H,1-2,4-5,7,10H2/b11-6+
InChIKeyOUOZNMLKQUAQGS-IZZDOVSWSA-N
MW165.24 g/mol
LogP0.75
Rot. Bonds3

About 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine

1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine (PubChem CID 145197702) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine
PubChem CID145197702
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine
SMILESC=C/N=C/C(=C)N1CCC(N)C1
InChIInChI=1S/C9H15N3/c1-3-11-6-8(2)12-5-4-9(10)7-12/h3,6,9H,1-2,4-5,7,10H2/b11-6+
InChIKeyOUOZNMLKQUAQGS-IZZDOVSWSA-N
XLogP0.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine
CID 123361966
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-[(3S)-3-aminopyrrolidin-1-yl]-2,2-difluoroethanone
CID 103514259
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine
CID 166807753
1-[(3R)-3-aminopyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one
CID 119411303
(2E,3E)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-ethylidene-4-hydroxyhexa-3,5-dien-1-one;ethane
CID 142049065
1-(3-aminoazepan-1-yl)prop-2-en-1-one
CID 155149074
1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone
CID 84669604
1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine
CID 174194521
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylsulfanylprop-2-en-1-one
CID 131234158

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine (CID 145197702) is 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine is C=C/N=C/C(=C)N1CCC(N)C1.
What is the InChIKey of 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine?
The InChIKey is OUOZNMLKQUAQGS-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-11-6-8(2)12-5-4-9(10)7-12/h3,6,9H,1-2,4-5,7,10H2/b11-6+.
What are the key properties of 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine?
1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine has a molecular weight of 165.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 145197702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).