(5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine

C12H21N — CID 129147700

IUPAC(5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESCCC/C=C1\CCCC2CCCN12
InChIInChI=1S/C12H21N/c1-2-3-6-11-7-4-8-12-9-5-10-13(11)12/h6,12H,2-5,7-10H2,1H3/b11-6+
InChIKeyVKHXGNIYMZXMFW-IZZDOVSWSA-N
MW179.31 g/mol
LogP3.32
Rot. Bonds2

About (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine

(5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine (PubChem CID 129147700) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine
PubChem CID129147700
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESCCC/C=C1\CCCC2CCCN12
InChIInChI=1S/C12H21N/c1-2-3-6-11-7-4-8-12-9-5-10-13(11)12/h6,12H,2-5,7-10H2,1H3/b11-6+
InChIKeyVKHXGNIYMZXMFW-IZZDOVSWSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine (CID 129147700) is (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine is CCC/C=C1\CCCC2CCCN12.
What is the InChIKey of (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is VKHXGNIYMZXMFW-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-6-11-7-4-8-12-9-5-10-13(11)12/h6,12H,2-5,7-10H2,1H3/b11-6+.
What are the key properties of (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine?
(5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 179.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 129147700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).