1-propyl-9H-carbazole-3-carbaldehyde

C16H15NO — CID 174900118

IUPAC1-propyl-9H-carbazole-3-carbaldehyde
SMILESCCCc1cc(C=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H15NO/c1-2-5-12-8-11(10-18)9-14-13-6-3-4-7-15(13)17-16(12)14/h3-4,6-10,17H,2,5H2,1H3
InChIKeyKVIRSPPSXMHGHB-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.09
Rot. Bonds3

About 1-propyl-9H-carbazole-3-carbaldehyde

1-propyl-9H-carbazole-3-carbaldehyde (PubChem CID 174900118) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-propyl-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name1-propyl-9H-carbazole-3-carbaldehyde
PubChem CID174900118
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-propyl-9H-carbazole-3-carbaldehyde
SMILESCCCc1cc(C=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H15NO/c1-2-5-12-8-11(10-18)9-14-13-6-3-4-7-15(13)17-16(12)14/h3-4,6-10,17H,2,5H2,1H3
InChIKeyKVIRSPPSXMHGHB-UHFFFAOYSA-N
XLogP4.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde
CID 23282236
1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde
CID 174875105
4-propylnaphthalene-2-carbaldehyde
CID 54544102
1-nonyl-9H-carbazole
CID 66872642
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde
CID 82394891
5-methyl-11H-benzo[a]carbazole
CID 6454977
4-propyl-9H-carbazole-3-carbaldehyde
CID 143973310
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856
3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole
CID 175035545
1-ethyl-2-nonyl-9H-carbazole
CID 142709978
bis(9H-carbazole);propane
CID 90987002

Frequently Asked Questions

What is the IUPAC name of 1-propyl-9H-carbazole-3-carbaldehyde?
The IUPAC name of 1-propyl-9H-carbazole-3-carbaldehyde (CID 174900118) is 1-propyl-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 1-propyl-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 1-propyl-9H-carbazole-3-carbaldehyde is CCCc1cc(C=O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-propyl-9H-carbazole-3-carbaldehyde?
The InChIKey is KVIRSPPSXMHGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-5-12-8-11(10-18)9-14-13-6-3-4-7-15(13)17-16(12)14/h3-4,6-10,17H,2,5H2,1H3.
What are the key properties of 1-propyl-9H-carbazole-3-carbaldehyde?
1-propyl-9H-carbazole-3-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 174900118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).