1-(9H-carbazol-1-yl)heptan-1-one

C19H21NO — CID 174653122

IUPAC1-(9H-carbazol-1-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C19H21NO/c1-2-3-4-5-13-18(21)16-11-8-10-15-14-9-6-7-12-17(14)20-19(15)16/h6-12,20H,2-5,13H2,1H3
InChIKeyFCJMBHUMVPZXRY-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.47
Rot. Bonds6

About 1-(9H-carbazol-1-yl)heptan-1-one

1-(9H-carbazol-1-yl)heptan-1-one (PubChem CID 174653122) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(9H-carbazol-1-yl)heptan-1-one.

Molecular Properties

Compound Name1-(9H-carbazol-1-yl)heptan-1-one
PubChem CID174653122
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(9H-carbazol-1-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C19H21NO/c1-2-3-4-5-13-18(21)16-11-8-10-15-14-9-6-7-12-17(14)20-19(15)16/h6-12,20H,2-5,13H2,1H3
InChIKeyFCJMBHUMVPZXRY-UHFFFAOYSA-N
XLogP5.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 68792419
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
CID 2793732
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2,3-diaminophenyl)octadecan-1-one
CID 68839218
1-(7-ethyl-1H-indol-3-yl)octan-1-one
CID 43339303
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-1-yl)heptan-1-one?
The IUPAC name of 1-(9H-carbazol-1-yl)heptan-1-one (CID 174653122) is 1-(9H-carbazol-1-yl)heptan-1-one.
What is the SMILES notation for 1-(9H-carbazol-1-yl)heptan-1-one?
The canonical SMILES for 1-(9H-carbazol-1-yl)heptan-1-one is CCCCCCC(=O)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(9H-carbazol-1-yl)heptan-1-one?
The InChIKey is FCJMBHUMVPZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-3-4-5-13-18(21)16-11-8-10-15-14-9-6-7-12-17(14)20-19(15)16/h6-12,20H,2-5,13H2,1H3.
What are the key properties of 1-(9H-carbazol-1-yl)heptan-1-one?
1-(9H-carbazol-1-yl)heptan-1-one has a molecular weight of 279.38 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-1-yl)heptan-1-one is sourced from PubChem (CID 174653122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).