3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one

C30H30N2O3 — CID 123356523

IUPAC3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(N=O)C(=O)CC3CCCC3)ccc21
InChIInChI=1S/C30H30N2O3/c1-3-32-26-14-12-21(29(31-35)28(33)16-20-9-5-6-10-20)17-24(26)25-18-22(13-15-27(25)32)30(34)23-11-7-4-8-19(23)2/h4,7-8,11-15,17-18,20,29H,3,5-6,9-10,16H2,1-2H3
InChIKeyMFAQGCLTXNJCQI-UHFFFAOYSA-N
MW466.58 g/mol
LogP7.31
Rot. Bonds8

About 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one

3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one (PubChem CID 123356523) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one
PubChem CID123356523
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(N=O)C(=O)CC3CCCC3)ccc21
InChIInChI=1S/C30H30N2O3/c1-3-32-26-14-12-21(29(31-35)28(33)16-20-9-5-6-10-20)17-24(26)25-18-22(13-15-27(25)32)30(34)23-11-7-4-8-19(23)2/h4,7-8,11-15,17-18,20,29H,3,5-6,9-10,16H2,1-2H3
InChIKeyMFAQGCLTXNJCQI-UHFFFAOYSA-N
XLogP7.31
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one 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

1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
CID 154285254
[6-(1-cyclopentyl-1,2-dideuteriopropyl)-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 175797035
[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-oxopropylidene]amino] benzoate
CID 141449161
[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 155166254
[(E)-[3-cyclohexyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] benzoate
CID 145376485
acetic acid;[6-[C-(1-cyclopentylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 160905901
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 4-azabicyclo[5.1.0]octane-4-carboxylate
CID 172917665
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one?
The IUPAC name of 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one (CID 123356523) is 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one.
What is the SMILES notation for 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one?
The canonical SMILES for 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(N=O)C(=O)CC3CCCC3)ccc21.
What is the InChIKey of 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one?
The InChIKey is MFAQGCLTXNJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-3-32-26-14-12-21(29(31-35)28(33)16-20-9-5-6-10-20)17-24(26)25-18-22(13-15-27(25)32)30(34)23-11-7-4-8-19(23)2/h4,7-8,11-15,17-18,20,29H,3,5-6,9-10,16H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one?
3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one has a molecular weight of 466.58 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one is sourced from PubChem (CID 123356523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).