9H-carbazol-1-yl 2-methylpent-2-enoate

C18H17NO2 — CID 174695043

IUPAC9H-carbazol-1-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)Oc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H17NO2/c1-3-7-12(2)18(20)21-16-11-6-9-14-13-8-4-5-10-15(13)19-17(14)16/h4-11,19H,3H2,1-2H3
InChIKeyJRIBLEYFSMBTGH-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.58
Rot. Bonds3

About 9H-carbazol-1-yl 2-methylpent-2-enoate

9H-carbazol-1-yl 2-methylpent-2-enoate (PubChem CID 174695043) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 9H-carbazol-1-yl 2-methylpent-2-enoate.

Molecular Properties

Compound Name9H-carbazol-1-yl 2-methylpent-2-enoate
PubChem CID174695043
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name9H-carbazol-1-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)Oc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H17NO2/c1-3-7-12(2)18(20)21-16-11-6-9-14-13-8-4-5-10-15(13)19-17(14)16/h4-11,19H,3H2,1-2H3
InChIKeyJRIBLEYFSMBTGH-UHFFFAOYSA-N
XLogP4.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
bis(9H-carbazol-1-yloxy)borinic acid
CID 175014324
butoxy(9H-carbazol-1-yloxy)borinic acid
CID 174896915
1-ethenyl-9H-carbazole;prop-2-enoic acid
CID 167561200
1-(2-ethoxyphenyl)-9H-carbazole
CID 175136892
1-(4-methylphenoxy)-9H-carbazole
CID 141175510
1-methoxy-9H-carbazole;oxirane
CID 175234481
[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate
CID 132575987
(2-ethylphenyl) 2-methylbut-2-enoate
CID 175294734
1-(9H-carbazol-1-yl)heptan-1-one
CID 174653122
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
9H-carbazole;propanoic acid
CID 68841226

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-1-yl 2-methylpent-2-enoate?
The IUPAC name of 9H-carbazol-1-yl 2-methylpent-2-enoate (CID 174695043) is 9H-carbazol-1-yl 2-methylpent-2-enoate.
What is the SMILES notation for 9H-carbazol-1-yl 2-methylpent-2-enoate?
The canonical SMILES for 9H-carbazol-1-yl 2-methylpent-2-enoate is CCC=C(C)C(=O)Oc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-carbazol-1-yl 2-methylpent-2-enoate?
The InChIKey is JRIBLEYFSMBTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-7-12(2)18(20)21-16-11-6-9-14-13-8-4-5-10-15(13)19-17(14)16/h4-11,19H,3H2,1-2H3.
What are the key properties of 9H-carbazol-1-yl 2-methylpent-2-enoate?
9H-carbazol-1-yl 2-methylpent-2-enoate has a molecular weight of 279.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-1-yl 2-methylpent-2-enoate is sourced from PubChem (CID 174695043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).