N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide

C18H21N3O — CID 2588195

IUPACN'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(NNC1=CCCCCC1)c1ccccc1-n1cccc1
InChIInChI=1S/C18H21N3O/c22-18(20-19-15-9-3-1-2-4-10-15)16-11-5-6-12-17(16)21-13-7-8-14-21/h5-9,11-14,19H,1-4,10H2,(H,20,22)
InChIKeySFZYOROIQGFCBQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.56
Rot. Bonds4

About N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide

N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide (PubChem CID 2588195) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide
PubChem CID2588195
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(NNC1=CCCCCC1)c1ccccc1-n1cccc1
InChIInChI=1S/C18H21N3O/c22-18(20-19-15-9-3-1-2-4-10-15)16-11-5-6-12-17(16)21-13-7-8-14-21/h5-9,11-14,19H,1-4,10H2,(H,20,22)
InChIKeySFZYOROIQGFCBQ-UHFFFAOYSA-N
XLogP3.56
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide 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

N'-(cyclohexen-1-yl)-2-hydroxybenzohydrazide
CID 4231723
N'-[(4S)-4-tert-butylcyclohexen-1-yl]-2-pyrrol-1-ylbenzohydrazide
CID 2368192
N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide
CID 3663481
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
CID 4807808
N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 4807845
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
1-cyclopropyl-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea
CID 4774855
N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 1481245
4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 166394212
N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 2327036
N'-(cyclohexen-1-yl)-2-phenoxyacetohydrazide
CID 4621301
N'-(cycloocten-1-yl)-4-(morpholin-4-ylmethyl)benzohydrazide
CID 3659350

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide (CID 2588195) is N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide is O=C(NNC1=CCCCCC1)c1ccccc1-n1cccc1.
What is the InChIKey of N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is SFZYOROIQGFCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(20-19-15-9-3-1-2-4-10-15)16-11-5-6-12-17(16)21-13-7-8-14-21/h5-9,11-14,19H,1-4,10H2,(H,20,22).
What are the key properties of N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide?
N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 295.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 2588195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).