(E)-3-(9-methylcarbazol-3-yl)prop-2-enal

C16H13NO — CID 101182473

IUPAC(E)-3-(9-methylcarbazol-3-yl)prop-2-enal
SMILESCn1c2ccccc2c2cc(/C=C/C=O)ccc21
InChIInChI=1S/C16H13NO/c1-17-15-7-3-2-6-13(15)14-11-12(5-4-10-18)8-9-16(14)17/h2-11H,1H3/b5-4+
InChIKeyHHRLNGAGSKGLIN-SNAWJCMRSA-N
MW235.29 g/mol
LogP3.54
Rot. Bonds2

About (E)-3-(9-methylcarbazol-3-yl)prop-2-enal

(E)-3-(9-methylcarbazol-3-yl)prop-2-enal (PubChem CID 101182473) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (E)-3-(9-methylcarbazol-3-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(9-methylcarbazol-3-yl)prop-2-enal
PubChem CID101182473
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(E)-3-(9-methylcarbazol-3-yl)prop-2-enal
SMILESCn1c2ccccc2c2cc(/C=C/C=O)ccc21
InChIInChI=1S/C16H13NO/c1-17-15-7-3-2-6-13(15)14-11-12(5-4-10-18)8-9-16(14)17/h2-11H,1H3/b5-4+
InChIKeyHHRLNGAGSKGLIN-SNAWJCMRSA-N
XLogP3.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9-methylcarbazole-2-carbaldehyde
CID 3152662
3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
CID 173162246
(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide
CID 170877567
ethane;bis(9-methylcarbazole)
CID 159710949
3-dibenzothiophen-2-ylprop-2-enal
CID 54153197
ethane;9-methylcarbazole;triphenylene
CID 142356751
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
CID 71490478
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole
CID 159017435
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077

Frequently Asked Questions

What is the IUPAC name of (E)-3-(9-methylcarbazol-3-yl)prop-2-enal?
The IUPAC name of (E)-3-(9-methylcarbazol-3-yl)prop-2-enal (CID 101182473) is (E)-3-(9-methylcarbazol-3-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(9-methylcarbazol-3-yl)prop-2-enal?
The canonical SMILES for (E)-3-(9-methylcarbazol-3-yl)prop-2-enal is Cn1c2ccccc2c2cc(/C=C/C=O)ccc21.
What is the InChIKey of (E)-3-(9-methylcarbazol-3-yl)prop-2-enal?
The InChIKey is HHRLNGAGSKGLIN-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H13NO/c1-17-15-7-3-2-6-13(15)14-11-12(5-4-10-18)8-9-16(14)17/h2-11H,1H3/b5-4+.
What are the key properties of (E)-3-(9-methylcarbazol-3-yl)prop-2-enal?
(E)-3-(9-methylcarbazol-3-yl)prop-2-enal has a molecular weight of 235.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(9-methylcarbazol-3-yl)prop-2-enal is sourced from PubChem (CID 101182473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).