4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one

C12H22N2O — CID 117023601

IUPAC4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CN(C2CC2)C(=O)C(C)(C)CN1
InChIInChI=1S/C12H22N2O/c1-11(2)7-13-12(3,4)8-14(10(11)15)9-5-6-9/h9,13H,5-8H2,1-4H3
InChIKeyRVHIJUMIIWUCEF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

About 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one

4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one (PubChem CID 117023601) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one
PubChem CID117023601
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CN(C2CC2)C(=O)C(C)(C)CN1
InChIInChI=1S/C12H22N2O/c1-11(2)7-13-12(3,4)8-14(10(11)15)9-5-6-9/h9,13H,5-8H2,1-4H3
InChIKeyRVHIJUMIIWUCEF-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one
CID 117023640
1-cyclopentyl-3,3,5,5-tetramethylpiperazin-2-one
CID 117023809
3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
CID 139026299
2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one
CID 117023599
3-cyclopropyl-5-ethyl-5-methylimidazolidin-4-one
CID 83242641
4-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023661
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905
4-(1,1-dioxothian-3-yl)-6,6-dimethyl-1,4-diazepan-5-one
CID 115100525
4-(4-bromo-2-methylphenyl)-2,2,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023634
(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 125453636
3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one
CID 83243038
4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one
CID 117023379

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one (CID 117023601) is 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one is CC1(C)CN(C2CC2)C(=O)C(C)(C)CN1.
What is the InChIKey of 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one?
The InChIKey is RVHIJUMIIWUCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)7-13-12(3,4)8-14(10(11)15)9-5-6-9/h9,13H,5-8H2,1-4H3.
What are the key properties of 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one?
4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 117023601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).