1-(9-propylcarbazol-3-yl)butan-1-one

C19H21NO — CID 145412526

IUPAC1-(9-propylcarbazol-3-yl)butan-1-one
SMILESCCCC(=O)c1ccc2c(c1)c1ccccc1n2CCC
InChIInChI=1S/C19H21NO/c1-3-7-19(21)14-10-11-18-16(13-14)15-8-5-6-9-17(15)20(18)12-4-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3
InChIKeyAKSKNAZAGAAXFH-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.19
Rot. Bonds5

About 1-(9-propylcarbazol-3-yl)butan-1-one

1-(9-propylcarbazol-3-yl)butan-1-one (PubChem CID 145412526) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(9-propylcarbazol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(9-propylcarbazol-3-yl)butan-1-one
PubChem CID145412526
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(9-propylcarbazol-3-yl)butan-1-one
SMILESCCCC(=O)c1ccc2c(c1)c1ccccc1n2CCC
InChIInChI=1S/C19H21NO/c1-3-7-19(21)14-10-11-18-16(13-14)15-8-5-6-9-17(15)20(18)12-4-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3
InChIKeyAKSKNAZAGAAXFH-UHFFFAOYSA-N
XLogP5.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(9-propylcarbazol-3-yl)butan-1-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

9-propylcarbazole-3-carbonyl iodide
CID 88957757
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753
1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
CID 73348033
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethylcarbazole-3-carboxylate
CID 7148416
1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine
CID 154349174
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
4-[7-(9-ethylcarbazol-3-yl)-4-methyl-7-oxoheptanoyl]benzonitrile
CID 149380829

Frequently Asked Questions

What is the IUPAC name of 1-(9-propylcarbazol-3-yl)butan-1-one?
The IUPAC name of 1-(9-propylcarbazol-3-yl)butan-1-one (CID 145412526) is 1-(9-propylcarbazol-3-yl)butan-1-one.
What is the SMILES notation for 1-(9-propylcarbazol-3-yl)butan-1-one?
The canonical SMILES for 1-(9-propylcarbazol-3-yl)butan-1-one is CCCC(=O)c1ccc2c(c1)c1ccccc1n2CCC.
What is the InChIKey of 1-(9-propylcarbazol-3-yl)butan-1-one?
The InChIKey is AKSKNAZAGAAXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-7-19(21)14-10-11-18-16(13-14)15-8-5-6-9-17(15)20(18)12-4-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3.
What are the key properties of 1-(9-propylcarbazol-3-yl)butan-1-one?
1-(9-propylcarbazol-3-yl)butan-1-one has a molecular weight of 279.38 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-propylcarbazol-3-yl)butan-1-one is sourced from PubChem (CID 145412526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).