1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile

C14H14N2 — CID 146280531

IUPAC1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile
SMILESC/C=C\c1c(C)c2ccc(C#N)cc2n1C
InChIInChI=1S/C14H14N2/c1-4-5-13-10(2)12-7-6-11(9-15)8-14(12)16(13)3/h4-8H,1-3H3/b5-4-
InChIKeyZIOOTYCDLFWCCF-PLNGDYQASA-N
MW210.28 g/mol
LogP3.39
Rot. Bonds1

About 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile

1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile (PubChem CID 146280531) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile
PubChem CID146280531
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile
SMILESC/C=C\c1c(C)c2ccc(C#N)cc2n1C
InChIInChI=1S/C14H14N2/c1-4-5-13-10(2)12-7-6-11(9-15)8-14(12)16(13)3/h4-8H,1-3H3/b5-4-
InChIKeyZIOOTYCDLFWCCF-PLNGDYQASA-N
XLogP3.39
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Iprindole
CID 21722
Mebhydrolin
CID 22530
3-Amino-9-ethylcarbazole
CID 8588
1-Methyl-1H-indole-3-ethylamine
CID 23492
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-Methyl-2-phenylindole
CID 77095
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130
3-((Dimethylamino)methyl)-2-methylindole
CID 181513
1-Methylindole
CID 11781
9H-Carbazole-9-methanol
CID 75480
2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 2802388

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile?
The IUPAC name of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile (CID 146280531) is 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile is C/C=C\c1c(C)c2ccc(C#N)cc2n1C.
What is the InChIKey of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile?
The InChIKey is ZIOOTYCDLFWCCF-PLNGDYQASA-N. The full InChI is InChI=1S/C14H14N2/c1-4-5-13-10(2)12-7-6-11(9-15)8-14(12)16(13)3/h4-8H,1-3H3/b5-4-.
What are the key properties of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile?
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile is sourced from PubChem (CID 146280531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).