4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one

C10H18N2O — CID 146675344

IUPAC4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one
SMILESCC1CN(CC2CC2)C(=O)CCN1
InChIInChI=1S/C10H18N2O/c1-8-6-12(7-9-2-3-9)10(13)4-5-11-8/h8-9,11H,2-7H2,1H3
InChIKeyXYLNHRMTZDBNCW-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds2

About 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one (PubChem CID 146675344) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one
PubChem CID146675344
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one
SMILESCC1CN(CC2CC2)C(=O)CCN1
InChIInChI=1S/C10H18N2O/c1-8-6-12(7-9-2-3-9)10(13)4-5-11-8/h8-9,11H,2-7H2,1H3
InChIKeyXYLNHRMTZDBNCW-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,7,7-Tetramethyl-1,4-diazepan-5-one
CID 546910
1-(1,4-Diazepan-1-yl)-2-methylpropan-1-one
CID 16773383
1-Cyclopropyl-1,4-diazepan-5-one
CID 71755456
2-Cyclopropyl-1,4-diazepan-5-one
CID 84020921
4-Methyl-4,8-diazaspiro(2.6)nonan-5-one
CID 84649985
2,2,4-Trimethyl-1,4-diazepan-5-one
CID 117023636
1-(1,4-Diazepan-1-yl)-3-methylbutan-1-one hydrochloride
CID 122360519
(2S)-2,4-dimethyl-1,4-diazepan-5-one
CID 129371681
1-Acetyl-7,7-dimethyl-1,4-diazepan-5-one
CID 165935249
Cyclopropyl-(6-fluoro-1,4-diazepan-1-yl)methanone
CID 140293178
Cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
N-{4-[4-(Cyclopropylmethyl)-3-isopropyl-5-oxo-1,4-diazepan-1-YL]-4-oxobutyl}acetamide
CID 56862070

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one (CID 146675344) is 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one is CC1CN(CC2CC2)C(=O)CCN1.
What is the InChIKey of 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one?
The InChIKey is XYLNHRMTZDBNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-6-12(7-9-2-3-9)10(13)4-5-11-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one has a molecular weight of 182.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one is sourced from PubChem (CID 146675344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).