1-ethyl-3-(methylamino)-7-methylideneazepan-2-one

C10H18N2O — CID 89268208

IUPAC1-ethyl-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CC
InChIInChI=1S/C10H18N2O/c1-4-12-8(2)6-5-7-9(11-3)10(12)13/h9,11H,2,4-7H2,1,3H3
InChIKeyCAXXCZGYULWOCQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.12
Rot. Bonds2

About 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one

1-ethyl-3-(methylamino)-7-methylideneazepan-2-one (PubChem CID 89268208) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one.

Molecular Properties

Compound Name1-ethyl-3-(methylamino)-7-methylideneazepan-2-one
PubChem CID89268208
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-ethyl-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CC
InChIInChI=1S/C10H18N2O/c1-4-12-8(2)6-5-7-9(11-3)10(12)13/h9,11H,2,4-7H2,1,3H3
InChIKeyCAXXCZGYULWOCQ-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(prop-1-en-2-ylamino)azepan-2-one
CID 163115031
1-Cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one
CID 22984627
1-Cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one
CID 22984643
1-Cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one
CID 22984651
1-Cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one
CID 22984659
1-Cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one
CID 22984667
1-Cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one
CID 22984675
1-Cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one
CID 22984683
(4R,7S)-4-methyl-10-methylidene-7-(propan-2-ylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one
CID 59033215
4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one
CID 59730870
1-Methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one
CID 59730882
3,6-Bis(4-aminobutyl)-5-methylidenepiperazin-2-one
CID 70648297

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
The IUPAC name of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one (CID 89268208) is 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one.
What is the SMILES notation for 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
The canonical SMILES for 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one is C=C1CCCC(NC)C(=O)N1CC.
What is the InChIKey of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
The InChIKey is CAXXCZGYULWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-12-8(2)6-5-7-9(11-3)10(12)13/h9,11H,2,4-7H2,1,3H3.
What are the key properties of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
1-ethyl-3-(methylamino)-7-methylideneazepan-2-one has a molecular weight of 182.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one is sourced from PubChem (CID 89268208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).