3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile

C17H19N3 — CID 15290836

IUPAC3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile
SMILESCN(C)C1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3
InChIKeyRSNYUBDIPFPZKJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.54
Rot. Bonds2

About 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile

3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile (PubChem CID 15290836) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile
PubChem CID15290836
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile
SMILESCN(C)C1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3
InChIKeyRSNYUBDIPFPZKJ-UHFFFAOYSA-N
XLogP3.54
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile (CID 15290836) is 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile is CN(C)C1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.
What is the InChIKey of 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile?
The InChIKey is RSNYUBDIPFPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile?
3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 15290836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).