(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide

C16H14N2O — CID 170877567

IUPAC(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide
SMILESCn1c2ccccc2c2ccc(/C=C\C(N)=O)cc21
InChIInChI=1S/C16H14N2O/c1-18-14-5-3-2-4-12(14)13-8-6-11(10-15(13)18)7-9-16(17)19/h2-10H,1H3,(H2,17,19)/b9-7-
InChIKeyFBQPFBSBUBYHHQ-CLFYSBASSA-N
MW250.30 g/mol
LogP2.83
Rot. Bonds2

About (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide

(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide (PubChem CID 170877567) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide
PubChem CID170877567
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide
SMILESCn1c2ccccc2c2ccc(/C=C\C(N)=O)cc21
InChIInChI=1S/C16H14N2O/c1-18-14-5-3-2-4-12(14)13-8-6-11(10-15(13)18)7-9-16(17)19/h2-10H,1H3,(H2,17,19)/b9-7-
InChIKeyFBQPFBSBUBYHHQ-CLFYSBASSA-N
XLogP2.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one
CID 71397195
3-(9-methylcarbazol-2-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 71397196
9-methylcarbazole-2-carbaldehyde
CID 3152662
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
CID 71490478
(E)-3-(9-methylcarbazol-3-yl)prop-2-enal
CID 101182473
5,11-didodecyl-3-[(E)-2-(5-dodecyl-11-methylindolo[3,2-b]carbazol-3-yl)ethenyl]indolo[3,2-b]carbazole
CID 90046031
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837
ethane;bis(9-methylcarbazole)
CID 159710949
(E)-3-[1-methyl-2-(4-methylphenyl)sulfanylindol-3-yl]prop-2-enamide
CID 170876746
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide (CID 170877567) is (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide is Cn1c2ccccc2c2ccc(/C=C\C(N)=O)cc21.
What is the InChIKey of (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide?
The InChIKey is FBQPFBSBUBYHHQ-CLFYSBASSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18-14-5-3-2-4-12(14)13-8-6-11(10-15(13)18)7-9-16(17)19/h2-10H,1H3,(H2,17,19)/b9-7-.
What are the key properties of (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide?
(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide has a molecular weight of 250.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide is sourced from PubChem (CID 170877567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).