5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde

C22H34N2O3 — CID 10714475

IUPAC5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C(=O)CCC/C=C\CCCCCCCCCC/C=N\O)[nH]1
InChIInChI=1S/C22H34N2O3/c25-19-20-16-17-21(24-20)22(26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-23-27/h7,9,16-19,24,27H,1-6,8,10-15H2/b9-7-,23-18-
InChIKeyWLASJVZSTAYOLT-MPYBJKCJSA-N
MW374.53 g/mol
LogP6.10
Rot. Bonds17

About 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde

5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 10714475) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde
PubChem CID10714475
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C(=O)CCC/C=C\CCCCCCCCCC/C=N\O)[nH]1
InChIInChI=1S/C22H34N2O3/c25-19-20-16-17-21(24-20)22(26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-23-27/h7,9,16-19,24,27H,1-6,8,10-15H2/b9-7-,23-18-
InChIKeyWLASJVZSTAYOLT-MPYBJKCJSA-N
XLogP6.10
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-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

5-pentacosa-10,13,16,19,22-pentaenoyl-1H-pyrrole-2-carbaldehyde
CID 72798487
5-propanoyl-1H-pyrrole-2-carbaldehyde
CID 82417384
1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]tricosa-14,17-dien-1-one
CID 73105380
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535
(9E)-9-hydroxyiminononanoic acid
CID 135344053
5-tricosa-14,17-dienyl-1H-pyrrole-2-carbaldehyde
CID 72971577
5-[(12Z,15Z)-henicosa-12,15-dienyl]-1H-pyrrole-2-carbaldehyde
CID 11153371
5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde
CID 10765248
5-[(Z)-14-methylpentadec-7-enyl]-1H-pyrrole-2-carbaldehyde
CID 44605147
22-(5-formyl-1H-pyrrol-2-yl)docos-8-enenitrile
CID 75079686
4-octadec-9-enoylbenzaldehyde
CID 173082747
(6Z,9Z)-21-(5-formyl-1H-pyrrol-2-yl)henicosa-6,9-dienenitrile
CID 46186992

Frequently Asked Questions

What is the IUPAC name of 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde (CID 10714475) is 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(C(=O)CCC/C=C\CCCCCCCCCC/C=N\O)[nH]1.
What is the InChIKey of 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is WLASJVZSTAYOLT-MPYBJKCJSA-N. The full InChI is InChI=1S/C22H34N2O3/c25-19-20-16-17-21(24-20)22(26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-23-27/h7,9,16-19,24,27H,1-6,8,10-15H2/b9-7-,23-18-.
What are the key properties of 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde?
5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 374.53 g/mol, XLogP of 6.10, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z,17Z)-17-hydroxyiminoheptadec-5-enoyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 10714475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).