4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one

C12H18N2O — CID 23311106

IUPAC4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
SMILESCN(C)c1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C12H18N2O/c1-13(2)12-9-11(15)8-10-6-4-3-5-7-14(10)12/h8-9H,3-7H2,1-2H3
InChIKeyAELOIGFQHWPPBE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds1

About 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one

4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one (PubChem CID 23311106) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
PubChem CID23311106
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
SMILESCN(C)c1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C12H18N2O/c1-13(2)12-9-11(15)8-10-6-4-3-5-7-14(10)12/h8-9H,3-7H2,1-2H3
InChIKeyAELOIGFQHWPPBE-UHFFFAOYSA-N
XLogP1.64
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The IUPAC name of 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one (CID 23311106) is 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one.
What is the SMILES notation for 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The canonical SMILES for 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one is CN(C)c1cc(=O)cc2n1CCCCC2.
What is the InChIKey of 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The InChIKey is AELOIGFQHWPPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13(2)12-9-11(15)8-10-6-4-3-5-7-14(10)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one is sourced from PubChem (CID 23311106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).