7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

C17H24N2O3 — CID 97390056

IUPAC7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C17H24N2O3/c1-22-11-10-19-15-7-9-18(17(21)12-13-2-3-13)8-6-14(15)4-5-16(19)20/h4-5,13H,2-3,6-12H2,1H3
InChIKeyUGWOMHRVGZVHCL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.22
Rot. Bonds5

About 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (PubChem CID 97390056) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
PubChem CID97390056
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C17H24N2O3/c1-22-11-10-19-15-7-9-18(17(21)12-13-2-3-13)8-6-14(15)4-5-16(19)20/h4-5,13H,2-3,6-12H2,1H3
InChIKeyUGWOMHRVGZVHCL-UHFFFAOYSA-N
XLogP1.22
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The IUPAC name of 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (CID 97390056) is 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The canonical SMILES for 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is COCCn1c2c(ccc1=O)CCN(C(=O)CC1CC1)CC2.
What is the InChIKey of 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The InChIKey is UGWOMHRVGZVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-11-10-19-15-7-9-18(17(21)12-13-2-3-13)8-6-14(15)4-5-16(19)20/h4-5,13H,2-3,6-12H2,1H3.
What are the key properties of 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylacetyl)-1-(2-methoxyethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 97390056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).