4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one

C10H18N2O — CID 117023640

IUPAC4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CN(C2CC2)C(=O)CCN1
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(8-3-4-8)9(13)5-6-11-10/h8,11H,3-7H2,1-2H3
InChIKeyPZBSJASJTNUHHR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.75
Rot. Bonds1

About 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one

4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one (PubChem CID 117023640) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one
PubChem CID117023640
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CN(C2CC2)C(=O)CCN1
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(8-3-4-8)9(13)5-6-11-10/h8,11H,3-7H2,1-2H3
InChIKeyPZBSJASJTNUHHR-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023661
4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023601
4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one
CID 117023379
4-(2,6-dimethylphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023674
5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 158347597
1-cyclopentyl-3,3,5,5-tetramethylpiperazin-2-one
CID 117023809
4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023648
2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016676
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656
3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
CID 139026299
4-(2,5-dimethylphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023671
4-(2,4-dimethylphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023670

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one?
The IUPAC name of 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one (CID 117023640) is 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one is CC1(C)CN(C2CC2)C(=O)CCN1.
What is the InChIKey of 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one?
The InChIKey is PZBSJASJTNUHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2)7-12(8-3-4-8)9(13)5-6-11-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one?
4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one has a molecular weight of 182.27 g/mol, XLogP of 0.75, 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-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 117023640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).