4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one

C15H24N2O2 — CID 20589880

IUPAC4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(CC2=CC(C)(C)C=C2)CCOC1C
InChIInChI=1S/C15H24N2O2/c1-11-13(16-4)14(18)17(7-8-19-11)10-12-5-6-15(2,3)9-12/h5-6,9,11,13,16H,7-8,10H2,1-4H3
InChIKeySNXZMKIOWBFSMA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.34
Rot. Bonds3

About 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one

4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20589880) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20589880
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(CC2=CC(C)(C)C=C2)CCOC1C
InChIInChI=1S/C15H24N2O2/c1-11-13(16-4)14(18)17(7-8-19-11)10-12-5-6-15(2,3)9-12/h5-6,9,11,13,16H,7-8,10H2,1-4H3
InChIKeySNXZMKIOWBFSMA-UHFFFAOYSA-N
XLogP1.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one with MolForge

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Related Compounds

4-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20589879
4-[(5,5-Dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20589927
4-[(5,5-Dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
CID 20589928
4-Cyclopent-2-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984972
4-Cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984975
2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
CID 123602723
N-[1-(cyclohexa-1,5-dien-1-ylmethylamino)-3-methoxy-1-oxopropan-2-yl]butanamide
CID 144281342
2-acetamido-3-methoxy-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]propanamide
CID 144304744

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one (CID 20589880) is 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one is CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCOC1C.
What is the InChIKey of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is SNXZMKIOWBFSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-13(16-4)14(18)17(7-8-19-11)10-12-5-6-15(2,3)9-12/h5-6,9,11,13,16H,7-8,10H2,1-4H3.
What are the key properties of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 264.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20589880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).