1-ethenyl-9H-carbazole;prop-2-enoic acid

C17H15NO2 — CID 167561200

IUPAC1-ethenyl-9H-carbazole;prop-2-enoic acid
SMILESC=CC(=O)O.C=Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H11N.C3H4O2/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;1-2-3(4)5/h2-9,15H,1H2;2H,1H2,(H,4,5)
InChIKeyDRHYOJPAKFDWNE-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.22
Rot. Bonds2

About 1-ethenyl-9H-carbazole;prop-2-enoic acid

1-ethenyl-9H-carbazole;prop-2-enoic acid (PubChem CID 167561200) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-ethenyl-9H-carbazole;prop-2-enoic acid.

Molecular Properties

Compound Name1-ethenyl-9H-carbazole;prop-2-enoic acid
PubChem CID167561200
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-ethenyl-9H-carbazole;prop-2-enoic acid
SMILESC=CC(=O)O.C=Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H11N.C3H4O2/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;1-2-3(4)5/h2-9,15H,1H2;2H,1H2,(H,4,5)
InChIKeyDRHYOJPAKFDWNE-UHFFFAOYSA-N
XLogP4.22
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazole-1-carbaldehyde
CID 11745551
benzene;1,2-bis(ethenyl)-9H-carbazole
CID 170336625
9H-carbazole-1-carbothialdehyde
CID 87924889
methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
CID 162411869
9H-carbazole;prop-2-enamide
CID 174545742
3-(9H-carbazol-1-yl)propyl prop-2-enoate
CID 18766698
9H-carbazole;carbonic acid
CID 67577328
N-(9H-carbazol-1-yl)benzamide
CID 138533611
1-(2-ethenylphenyl)ethanone;prop-2-enoic acid
CID 175101646
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one
CID 67816686
benzoic acid;9H-carbazole
CID 162147282

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-9H-carbazole;prop-2-enoic acid?
The IUPAC name of 1-ethenyl-9H-carbazole;prop-2-enoic acid (CID 167561200) is 1-ethenyl-9H-carbazole;prop-2-enoic acid.
What is the SMILES notation for 1-ethenyl-9H-carbazole;prop-2-enoic acid?
The canonical SMILES for 1-ethenyl-9H-carbazole;prop-2-enoic acid is C=CC(=O)O.C=Cc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-ethenyl-9H-carbazole;prop-2-enoic acid?
The InChIKey is DRHYOJPAKFDWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.C3H4O2/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;1-2-3(4)5/h2-9,15H,1H2;2H,1H2,(H,4,5).
What are the key properties of 1-ethenyl-9H-carbazole;prop-2-enoic acid?
1-ethenyl-9H-carbazole;prop-2-enoic acid has a molecular weight of 265.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-9H-carbazole;prop-2-enoic acid is sourced from PubChem (CID 167561200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).