1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

C18H24N2O3 — CID 97466847

IUPAC1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESO=C([C@H]1CCCO1)N1CCc2ccc(=O)n(CC3CC3)c2CC1
InChIInChI=1S/C18H24N2O3/c21-17-6-5-14-7-9-19(18(22)16-2-1-11-23-16)10-8-15(14)20(17)12-13-3-4-13/h5-6,13,16H,1-4,7-12H2/t16-/m1/s1
InChIKeyFVVRIYDLXYLOTI-MRXNPFEDSA-N
MW316.40 g/mol
LogP1.36
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (PubChem CID 97466847) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
PubChem CID97466847
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESO=C([C@H]1CCCO1)N1CCc2ccc(=O)n(CC3CC3)c2CC1
InChIInChI=1S/C18H24N2O3/c21-17-6-5-14-7-9-19(18(22)16-2-1-11-23-16)10-8-15(14)20(17)12-13-3-4-13/h5-6,13,16H,1-4,7-12H2/t16-/m1/s1
InChIKeyFVVRIYDLXYLOTI-MRXNPFEDSA-N
XLogP1.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one with MolForge

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Related Compounds

7-(6-methylpyridine-3-carbonyl)-1-(oxan-4-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 155871441
1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466843
1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
CID 60707955
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 51176792
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[(2R)-oxolan-2-yl]-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]methanone
CID 98946929
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (CID 97466847) is 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is O=C([C@H]1CCCO1)N1CCc2ccc(=O)n(CC3CC3)c2CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The InChIKey is FVVRIYDLXYLOTI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17-6-5-14-7-9-19(18(22)16-2-1-11-23-16)10-8-15(14)20(17)12-13-3-4-13/h5-6,13,16H,1-4,7-12H2/t16-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 97466847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).