(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate

C10H8NO- — CID 138966761

IUPAC(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate
SMILESCc1c/c(=C\[O-])nc2c1=CC=C2
InChIInChI=1S/C10H9NO/c1-7-5-8(6-12)11-10-4-2-3-9(7)10/h2-6,12H,1H3/p-1/b8-6+
InChIKeyJRCIAVVKKIJIBK-SOFGYWHQSA-M
MW158.18 g/mol
LogP-0.70
Rot. Bonds

About (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate

(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate (PubChem CID 138966761) has the molecular formula C10H8NO- and a molecular weight of 158.18 g/mol. Its IUPAC name is (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate.

Molecular Properties

Compound Name(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate
PubChem CID138966761
Molecular FormulaC10H8NO-
Molecular Weight158.18 g/mol
Exact Mass158.06
IUPAC Name(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate
SMILESCc1c/c(=C\[O-])nc2c1=CC=C2
InChIInChI=1S/C10H9NO/c1-7-5-8(6-12)11-10-4-2-3-9(7)10/h2-6,12H,1H3/p-1/b8-6+
InChIKeyJRCIAVVKKIJIBK-SOFGYWHQSA-M
XLogP-0.70
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-indol-2-ylidenemethanolate
CID 134894680
(5-Methylindol-2-ylidene)methanone
CID 21327252
(1E,3Z,10Z)-7-oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 21887047
7-Oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 53737397
2-methoxy-5H-indole
CID 67762343
7H-indol-2-ol
CID 67864969
2-methoxy-7H-indole
CID 70467316
2-Hexylideneindole
CID 87404983
3,4-Diethyl-2-methylideneindole
CID 87814049
(3-Ethylindol-2-ylidene)methanone
CID 88795305
3-Methyl-2-methylideneindole
CID 91485891
2-methoxy-6,7-dihydro-5H-indole
CID 134249739

Frequently Asked Questions

What is the IUPAC name of (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate?
The IUPAC name of (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate (CID 138966761) is (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate.
What is the SMILES notation for (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate?
The canonical SMILES for (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate is Cc1c/c(=C\[O-])nc2c1=CC=C2.
What is the InChIKey of (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate?
The InChIKey is JRCIAVVKKIJIBK-SOFGYWHQSA-M. The full InChI is InChI=1S/C10H9NO/c1-7-5-8(6-12)11-10-4-2-3-9(7)10/h2-6,12H,1H3/p-1/b8-6+.
What are the key properties of (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate?
(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate has a molecular weight of 158.18 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate is sourced from PubChem (CID 138966761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).