1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde

C21H34N2O2 — CID 91457342

IUPAC1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde
SMILESCC=CC=CCC(C)C(C(=O)N1CCCC1C=O)N(CC)CC1CC1
InChIInChI=1S/C21H34N2O2/c1-4-6-7-8-10-17(3)20(22(5-2)15-18-12-13-18)21(25)23-14-9-11-19(23)16-24/h4,6-8,16-20H,5,9-15H2,1-3H3
InChIKeyVEZYIJHAPHAUOK-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.44
Rot. Bonds10

About 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde

1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde (PubChem CID 91457342) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde
PubChem CID91457342
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde
SMILESCC=CC=CCC(C)C(C(=O)N1CCCC1C=O)N(CC)CC1CC1
InChIInChI=1S/C21H34N2O2/c1-4-6-7-8-10-17(3)20(22(5-2)15-18-12-13-18)21(25)23-14-9-11-19(23)16-24/h4,6-8,16-20H,5,9-15H2,1-3H3
InChIKeyVEZYIJHAPHAUOK-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(1-fluoroethenyl)-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 153398592
(2S)-4-(2-ethenylhexa-3,5-dienyl)-1-propanoylpyrrolidine-2-carbaldehyde
CID 143012003
ethanamine;1-formyl-3-methylpyrrolidine-2-carboxamide;2-[(Z)-hept-1-enyl]cyclopropane-1-carboxamide
CID 144353100
1-[2-[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 142365158
1-[1-[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]cyclopropanecarbonyl]pyrrolidine-2-carbaldehyde
CID 142407889

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde (CID 91457342) is 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde is CC=CC=CCC(C)C(C(=O)N1CCCC1C=O)N(CC)CC1CC1.
What is the InChIKey of 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde?
The InChIKey is VEZYIJHAPHAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-4-6-7-8-10-17(3)20(22(5-2)15-18-12-13-18)21(25)23-14-9-11-19(23)16-24/h4,6-8,16-20H,5,9-15H2,1-3H3.
What are the key properties of 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde?
1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde has a molecular weight of 346.51 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropylmethyl(ethyl)amino]-3-methylnona-5,7-dienoyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 91457342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).