1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone

C11H14N2O — CID 143019342

IUPAC1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone
SMILESCC(=O)N1CCC2=C(C=NCC=C2)C1
InChIInChI=1S/C11H14N2O/c1-9(14)13-6-4-10-3-2-5-12-7-11(10)8-13/h2-3,7H,4-6,8H2,1H3
InChIKeyPJZAUCWGSSRHSG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.18
Rot. Bonds

About 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone

1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone (PubChem CID 143019342) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone
PubChem CID143019342
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone
SMILESCC(=O)N1CCC2=C(C=NCC=C2)C1
InChIInChI=1S/C11H14N2O/c1-9(14)13-6-4-10-3-2-5-12-7-11(10)8-13/h2-3,7H,4-6,8H2,1H3
InChIKeyPJZAUCWGSSRHSG-UHFFFAOYSA-N
XLogP1.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide
CID 90845381
Ethane;1,3,4,7-tetrahydropyrido[3,4-c]azepine-2-carbaldehyde
CID 142988735
1-(2,9-Diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone
CID 143088900
1-(1,3,4,7-Tetrahydrocyclohepta[c]pyridin-2-yl)ethanone
CID 143088913
ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
CID 143838789
3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one;ethane
CID 143839050
ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 143839053
N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide
CID 144519506
1,3,4,7-Tetrahydropyrido[3,4-c]azepine-2-carbaldehyde
CID 142988736
1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
CID 143838790
3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one
CID 143839051
1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 143839054

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone?
The IUPAC name of 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone (CID 143019342) is 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone.
What is the SMILES notation for 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone?
The canonical SMILES for 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone is CC(=O)N1CCC2=C(C=NCC=C2)C1.
What is the InChIKey of 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone?
The InChIKey is PJZAUCWGSSRHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(14)13-6-4-10-3-2-5-12-7-11(10)8-13/h2-3,7H,4-6,8H2,1H3.
What are the key properties of 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone?
1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone has a molecular weight of 190.25 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4,7-tetrahydropyrido[3,4-c]azepin-2-yl)ethanone is sourced from PubChem (CID 143019342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).