9-acetyl-7-methoxycarbazole-2-carbaldehyde

C16H13NO3 — CID 176804887

IUPAC9-acetyl-7-methoxycarbazole-2-carbaldehyde
SMILESCOc1ccc2c3ccc(C=O)cc3n(C(C)=O)c2c1
InChIInChI=1S/C16H13NO3/c1-10(19)17-15-7-11(9-18)3-5-13(15)14-6-4-12(20-2)8-16(14)17/h3-9H,1-2H3
InChIKeyOLNCMOVLIUTCQT-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.28
Rot. Bonds2

About 9-acetyl-7-methoxycarbazole-2-carbaldehyde

9-acetyl-7-methoxycarbazole-2-carbaldehyde (PubChem CID 176804887) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 9-acetyl-7-methoxycarbazole-2-carbaldehyde.

Molecular Properties

Compound Name9-acetyl-7-methoxycarbazole-2-carbaldehyde
PubChem CID176804887
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name9-acetyl-7-methoxycarbazole-2-carbaldehyde
SMILESCOc1ccc2c3ccc(C=O)cc3n(C(C)=O)c2c1
InChIInChI=1S/C16H13NO3/c1-10(19)17-15-7-11(9-18)3-5-13(15)14-6-4-12(20-2)8-16(14)17/h3-9H,1-2H3
InChIKeyOLNCMOVLIUTCQT-UHFFFAOYSA-N
XLogP3.28
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9,18,27-triethyl-15,24-dimethoxy-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-6-carbaldehyde
CID 170534126
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
3-formyl-6-methoxyindazole-1-carboxylic acid
CID 87139772
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
CID 148796534
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
1-[(4-methoxyphenyl)methyl]-3-methylindole-6-carbaldehyde
CID 91174729
1-cyclopropyl-6-methoxyindazole-3-carbaldehyde
CID 77230772
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-7-methoxycarbazole-2-carbaldehyde?
The IUPAC name of 9-acetyl-7-methoxycarbazole-2-carbaldehyde (CID 176804887) is 9-acetyl-7-methoxycarbazole-2-carbaldehyde.
What is the SMILES notation for 9-acetyl-7-methoxycarbazole-2-carbaldehyde?
The canonical SMILES for 9-acetyl-7-methoxycarbazole-2-carbaldehyde is COc1ccc2c3ccc(C=O)cc3n(C(C)=O)c2c1.
What is the InChIKey of 9-acetyl-7-methoxycarbazole-2-carbaldehyde?
The InChIKey is OLNCMOVLIUTCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10(19)17-15-7-11(9-18)3-5-13(15)14-6-4-12(20-2)8-16(14)17/h3-9H,1-2H3.
What are the key properties of 9-acetyl-7-methoxycarbazole-2-carbaldehyde?
9-acetyl-7-methoxycarbazole-2-carbaldehyde has a molecular weight of 267.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-7-methoxycarbazole-2-carbaldehyde is sourced from PubChem (CID 176804887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).