3-(9H-carbazol-1-yl)propyl prop-2-enoate

C18H17NO2 — CID 18766698

IUPAC3-(9H-carbazol-1-yl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H17NO2/c1-2-17(20)21-12-6-8-13-7-5-10-15-14-9-3-4-11-16(14)19-18(13)15/h2-5,7,9-11,19H,1,6,8,12H2
InChIKeyIODPSSLZOBNAAS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.98
Rot. Bonds5

About 3-(9H-carbazol-1-yl)propyl prop-2-enoate

3-(9H-carbazol-1-yl)propyl prop-2-enoate (PubChem CID 18766698) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(9H-carbazol-1-yl)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(9H-carbazol-1-yl)propyl prop-2-enoate
PubChem CID18766698
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-(9H-carbazol-1-yl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H17NO2/c1-2-17(20)21-12-6-8-13-7-5-10-15-14-9-3-4-11-16(14)19-18(13)15/h2-5,7,9-11,19H,1,6,8,12H2
InChIKeyIODPSSLZOBNAAS-UHFFFAOYSA-N
XLogP3.98
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
3-(2-nitrophenyl)propyl prop-2-enoate
CID 70496530
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
1-ethenyl-9H-carbazole;prop-2-enoic acid
CID 167561200
butyl prop-2-enoate;1,2-xylene
CID 70409011
9H-carbazole;prop-2-enamide
CID 174545742
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
4-pyren-1-ylbutyl prop-2-enoate
CID 71405631
2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid
CID 67896134
1-but-3-ynyl-9H-carbazole
CID 173036439

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-1-yl)propyl prop-2-enoate?
The IUPAC name of 3-(9H-carbazol-1-yl)propyl prop-2-enoate (CID 18766698) is 3-(9H-carbazol-1-yl)propyl prop-2-enoate.
What is the SMILES notation for 3-(9H-carbazol-1-yl)propyl prop-2-enoate?
The canonical SMILES for 3-(9H-carbazol-1-yl)propyl prop-2-enoate is C=CC(=O)OCCCc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 3-(9H-carbazol-1-yl)propyl prop-2-enoate?
The InChIKey is IODPSSLZOBNAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-17(20)21-12-6-8-13-7-5-10-15-14-9-3-4-11-16(14)19-18(13)15/h2-5,7,9-11,19H,1,6,8,12H2.
What are the key properties of 3-(9H-carbazol-1-yl)propyl prop-2-enoate?
3-(9H-carbazol-1-yl)propyl prop-2-enoate has a molecular weight of 279.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-1-yl)propyl prop-2-enoate is sourced from PubChem (CID 18766698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).