(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine

C9H17N3 — CID 153331310

IUPAC(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)C1CCNC1
InChIInChI=1S/C9H17N3/c1-6(10)9(7(2)11)8-3-4-12-5-8/h8,10,12H,3-5,11H2,1-2H3/b9-7+,10-6+
InChIKeyRBROIDSQIOPWFN-IDXDHNASSA-N
MW167.26 g/mol
LogP0.87
Rot. Bonds2

About (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine

(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine (PubChem CID 153331310) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine
PubChem CID153331310
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)C1CCNC1
InChIInChI=1S/C9H17N3/c1-6(10)9(7(2)11)8-3-4-12-5-8/h8,10,12H,3-5,11H2,1-2H3/b9-7+,10-6+
InChIKeyRBROIDSQIOPWFN-IDXDHNASSA-N
XLogP0.87
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine?
The IUPAC name of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine (CID 153331310) is (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine is [H]/N=C(C)/C(=C(/C)N)C1CCNC1.
What is the InChIKey of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine?
The InChIKey is RBROIDSQIOPWFN-IDXDHNASSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(10)9(7(2)11)8-3-4-12-5-8/h8,10,12H,3-5,11H2,1-2H3/b9-7+,10-6+.
What are the key properties of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine?
(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine is sourced from PubChem (CID 153331310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).