(E)-4-pyrrolidin-3-ylpent-3-en-2-imine

C9H16N2 — CID 123879311

IUPAC(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CCNC1
InChIInChI=1S/C9H16N2/c1-7(5-8(2)10)9-3-4-11-6-9/h5,9-11H,3-4,6H2,1-2H3/b7-5+,10-8+
InChIKeySCRCLYGGBQLYOK-RMTFUQJTSA-N
MW152.24 g/mol
LogP1.58
Rot. Bonds2

About (E)-4-pyrrolidin-3-ylpent-3-en-2-imine

(E)-4-pyrrolidin-3-ylpent-3-en-2-imine (PubChem CID 123879311) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-4-pyrrolidin-3-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
PubChem CID123879311
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CCNC1
InChIInChI=1S/C9H16N2/c1-7(5-8(2)10)9-3-4-11-6-9/h5,9-11H,3-4,6H2,1-2H3/b7-5+,10-8+
InChIKeySCRCLYGGBQLYOK-RMTFUQJTSA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135096
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
2-Methyl-3-(3-methylbut-2-enyl)pyrrolidine
CID 121451115
3-[(E)-but-2-en-2-yl]pyrrolidine
CID 122236928
4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 122609121
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
CID 123614076
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479

Frequently Asked Questions

What is the IUPAC name of (E)-4-pyrrolidin-3-ylpent-3-en-2-imine?
The IUPAC name of (E)-4-pyrrolidin-3-ylpent-3-en-2-imine (CID 123879311) is (E)-4-pyrrolidin-3-ylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-pyrrolidin-3-ylpent-3-en-2-imine?
The canonical SMILES for (E)-4-pyrrolidin-3-ylpent-3-en-2-imine is [H]/N=C(C)/C=C(\C)C1CCNC1.
What is the InChIKey of (E)-4-pyrrolidin-3-ylpent-3-en-2-imine?
The InChIKey is SCRCLYGGBQLYOK-RMTFUQJTSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(5-8(2)10)9-3-4-11-6-9/h5,9-11H,3-4,6H2,1-2H3/b7-5+,10-8+.
What are the key properties of (E)-4-pyrrolidin-3-ylpent-3-en-2-imine?
(E)-4-pyrrolidin-3-ylpent-3-en-2-imine has a molecular weight of 152.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-pyrrolidin-3-ylpent-3-en-2-imine is sourced from PubChem (CID 123879311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).