(3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole

C10H15N — CID 123849359

IUPAC(3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole
SMILESC/C=C1\C=NC2CCCCC12
InChIInChI=1S/C10H15N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2,7,9-10H,3-6H2,1H3/b8-2+
InChIKeyMCOXMSJWBSTBGE-KRXBUXKQSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole

(3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole (PubChem CID 123849359) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole.

Molecular Properties

Compound Name(3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole
PubChem CID123849359
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole
SMILESC/C=C1\C=NC2CCCCC12
InChIInChI=1S/C10H15N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2,7,9-10H,3-6H2,1H3/b8-2+
InChIKeyMCOXMSJWBSTBGE-KRXBUXKQSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5aR)-7-fluoro-3,5-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-1-benzazepine
CID 137417370
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
5,6,7,7a-tetrahydro-1H-isoindole
CID 53791560
10-Methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene
CID 70374360
4-Ethyl-2,3-dimethyl-2,3-dihydropyridine
CID 90724082
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
3,5-Diethyl-2-propyl-2,3-dihydropyridine
CID 91005853
5-methyl-3a,4,7,7a-tetrahydro-3H-indole
CID 123157175
3-propan-2-yl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine
CID 123579798
6-methyl-3a,4,5,7a-tetrahydro-3H-indole
CID 123685836
(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
CID 130337306
(8aS)-3-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 137435358

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole?
The IUPAC name of (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole (CID 123849359) is (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole.
What is the SMILES notation for (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole?
The canonical SMILES for (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole is C/C=C1\C=NC2CCCCC12.
What is the InChIKey of (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole?
The InChIKey is MCOXMSJWBSTBGE-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H15N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2,7,9-10H,3-6H2,1H3/b8-2+.
What are the key properties of (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole?
(3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole has a molecular weight of 149.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-3a,4,5,6,7,7a-hexahydroindole is sourced from PubChem (CID 123849359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).