1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone

C12H17NO — CID 91289741

IUPAC1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone
SMILESC=C1CCCN2CCCC(C(C)=O)=C12
InChIInChI=1S/C12H17NO/c1-9-5-3-7-13-8-4-6-11(10(2)14)12(9)13/h1,3-8H2,2H3
InChIKeyHGMUJWHKLDIHIO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds1

About 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone

1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone (PubChem CID 91289741) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone.

Molecular Properties

Compound Name1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone
PubChem CID91289741
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone
SMILESC=C1CCCN2CCCC(C(C)=O)=C12
InChIInChI=1S/C12H17NO/c1-9-5-3-7-13-8-4-6-11(10(2)14)12(9)13/h1,3-8H2,2H3
InChIKeyHGMUJWHKLDIHIO-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone?
The IUPAC name of 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone (CID 91289741) is 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone.
What is the SMILES notation for 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone?
The canonical SMILES for 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone is C=C1CCCN2CCCC(C(C)=O)=C12.
What is the InChIKey of 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone?
The InChIKey is HGMUJWHKLDIHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-3-7-13-8-4-6-11(10(2)14)12(9)13/h1,3-8H2,2H3.
What are the key properties of 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone?
1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methylidene-2,3,4,6,7,8-hexahydroquinolizin-1-yl)ethanone is sourced from PubChem (CID 91289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).