2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde

C14H23NO — CID 143479343

IUPAC2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde
SMILESC=CCCC(/C=C\CC)C1CCCN1C=O
InChIInChI=1S/C14H23NO/c1-3-5-8-13(9-6-4-2)14-10-7-11-15(14)12-16/h3,6,9,12-14H,1,4-5,7-8,10-11H2,2H3/b9-6-
InChIKeyISFKMFIXPFDQIW-TWGQIWQCSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds7

About 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde

2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde (PubChem CID 143479343) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde
PubChem CID143479343
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde
SMILESC=CCCC(/C=C\CC)C1CCCN1C=O
InChIInChI=1S/C14H23NO/c1-3-5-8-13(9-6-4-2)14-10-7-11-15(14)12-16/h3,6,9,12-14H,1,4-5,7-8,10-11H2,2H3/b9-6-
InChIKeyISFKMFIXPFDQIW-TWGQIWQCSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde 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

(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde
CID 170767969
ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
CID 143879707
1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166414594
2-benzhydrylpyrrolidine-1-carbaldehyde
CID 87629183
ethane;2-methylpyrrolidine-1-carbaldehyde
CID 177315996
2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
CID 142690055
(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
tert-butyl 2-(1-hydroxyhex-5-en-2-yl)pyrrolidine-1-carboxylate
CID 166676900
3-but-3-enyl-1-methylpiperidine
CID 55275631
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056
4-[1-(1-formylpyrrolidin-2-yl)ethyl]benzonitrile
CID 156719849

Frequently Asked Questions

What is the IUPAC name of 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde (CID 143479343) is 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde is C=CCCC(/C=C\CC)C1CCCN1C=O.
What is the InChIKey of 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde?
The InChIKey is ISFKMFIXPFDQIW-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-8-13(9-6-4-2)14-10-7-11-15(14)12-16/h3,6,9,12-14H,1,4-5,7-8,10-11H2,2H3/b9-6-.
What are the key properties of 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde?
2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde has a molecular weight of 221.34 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 143479343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).