N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide

C12H20N2O — CID 6452371

IUPACN-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide
SMILESCC(=O)N/C=C1\CCCN2CCCC[C@H]12
InChIInChI=1S/C12H20N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h9,12H,2-8H2,1H3,(H,13,15)/b11-9+/t12-/m1/s1
InChIKeyXKKRQPPGOROKBD-LMMOQWNQSA-N
MW208.30 g/mol
LogP1.65
Rot. Bonds1

About N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide

N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide (PubChem CID 6452371) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide.

Molecular Properties

Compound NameN-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide
PubChem CID6452371
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide
SMILESCC(=O)N/C=C1\CCCN2CCCC[C@H]12
InChIInChI=1S/C12H20N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h9,12H,2-8H2,1H3,(H,13,15)/b11-9+/t12-/m1/s1
InChIKeyXKKRQPPGOROKBD-LMMOQWNQSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide?
The IUPAC name of N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide (CID 6452371) is N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide.
What is the SMILES notation for N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide?
The canonical SMILES for N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide is CC(=O)N/C=C1\CCCN2CCCC[C@H]12.
What is the InChIKey of N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide?
The InChIKey is XKKRQPPGOROKBD-LMMOQWNQSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h9,12H,2-8H2,1H3,(H,13,15)/b11-9+/t12-/m1/s1.
What are the key properties of N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide?
N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide has a molecular weight of 208.30 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide is sourced from PubChem (CID 6452371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).