(3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine

C17H20N2 — CID 146660010

IUPAC(3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine
SMILES[H]/N=C1C(=C/CC)\c2ccccc2N\1C1CC=CCC1
InChIInChI=1S/C17H20N2/c1-2-8-15-14-11-6-7-12-16(14)19(17(15)18)13-9-4-3-5-10-13/h3-4,6-8,11-13,18H,2,5,9-10H2,1H3/b15-8-,18-17+
InChIKeyIONHCCLRKMWRJD-ZGUMFPAMSA-N
MW252.36 g/mol
LogP4.39
Rot. Bonds2

About (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine

(3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine (PubChem CID 146660010) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine
PubChem CID146660010
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine
SMILES[H]/N=C1C(=C/CC)\c2ccccc2N\1C1CC=CCC1
InChIInChI=1S/C17H20N2/c1-2-8-15-14-11-6-7-12-16(14)19(17(15)18)13-9-4-3-5-10-13/h3-4,6-8,11-13,18H,2,5,9-10H2,1H3/b15-8-,18-17+
InChIKeyIONHCCLRKMWRJD-ZGUMFPAMSA-N
XLogP4.39
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine?
The IUPAC name of (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine (CID 146660010) is (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine.
What is the SMILES notation for (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine?
The canonical SMILES for (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine is [H]/N=C1C(=C/CC)\c2ccccc2N\1C1CC=CCC1.
What is the InChIKey of (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine?
The InChIKey is IONHCCLRKMWRJD-ZGUMFPAMSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-8-15-14-11-6-7-12-16(14)19(17(15)18)13-9-4-3-5-10-13/h3-4,6-8,11-13,18H,2,5,9-10H2,1H3/b15-8-,18-17+.
What are the key properties of (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine?
(3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine has a molecular weight of 252.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclohex-3-en-1-yl-3-propylideneindol-2-imine is sourced from PubChem (CID 146660010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).