methyl 4-carbazol-9-yl-2-methylidenebutanoate

C18H17NO2 — CID 155804383

IUPACmethyl 4-carbazol-9-yl-2-methylidenebutanoate
SMILESC=C(CCn1c2ccccc2c2ccccc21)C(=O)OC
InChIInChI=1S/C18H17NO2/c1-13(18(20)21-2)11-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,1,11-12H2,2H3
InChIKeySPLYDKBCTHECDQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.91
Rot. Bonds4

About methyl 4-carbazol-9-yl-2-methylidenebutanoate

methyl 4-carbazol-9-yl-2-methylidenebutanoate (PubChem CID 155804383) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-carbazol-9-yl-2-methylidenebutanoate.

Molecular Properties

Compound Namemethyl 4-carbazol-9-yl-2-methylidenebutanoate
PubChem CID155804383
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namemethyl 4-carbazol-9-yl-2-methylidenebutanoate
SMILESC=C(CCn1c2ccccc2c2ccccc21)C(=O)OC
InChIInChI=1S/C18H17NO2/c1-13(18(20)21-2)11-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,1,11-12H2,2H3
InChIKeySPLYDKBCTHECDQ-UHFFFAOYSA-N
XLogP3.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-carbazol-9-yl-2-methylidenepentanoic acid
CID 67001914
methyl 2-carbazol-9-ylacetate
CID 3745219
3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide
CID 66728941
2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 178100321
4-O-(20-carbazol-9-ylicosyl) 1-O-methyl benzene-1,4-dicarboxylate
CID 101086038
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
methyl 4-(4-carbazol-9-ylbutoxy)benzoate
CID 68934986
ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
CID 145481975
methyl 2-benzylprop-2-enoate
CID 575761
carbazol-9-ylmethyl propanoate
CID 122502701
1-[2-chloro-1-(3-methylbut-3-enyl)indol-3-yl]ethanone
CID 101492532
N-(2-carbazol-9-ylethyl)-2-methylpropan-2-amine
CID 61387045

Frequently Asked Questions

What is the IUPAC name of methyl 4-carbazol-9-yl-2-methylidenebutanoate?
The IUPAC name of methyl 4-carbazol-9-yl-2-methylidenebutanoate (CID 155804383) is methyl 4-carbazol-9-yl-2-methylidenebutanoate.
What is the SMILES notation for methyl 4-carbazol-9-yl-2-methylidenebutanoate?
The canonical SMILES for methyl 4-carbazol-9-yl-2-methylidenebutanoate is C=C(CCn1c2ccccc2c2ccccc21)C(=O)OC.
What is the InChIKey of methyl 4-carbazol-9-yl-2-methylidenebutanoate?
The InChIKey is SPLYDKBCTHECDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(18(20)21-2)11-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,1,11-12H2,2H3.
What are the key properties of methyl 4-carbazol-9-yl-2-methylidenebutanoate?
methyl 4-carbazol-9-yl-2-methylidenebutanoate has a molecular weight of 279.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-carbazol-9-yl-2-methylidenebutanoate is sourced from PubChem (CID 155804383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).