(2-oxoazepan-1-yl)urea

C7H13N3O2 — CID 67625281

IUPAC(2-oxoazepan-1-yl)urea
SMILESNC(=O)NN1CCCCCC1=O
InChIInChI=1S/C7H13N3O2/c8-7(12)9-10-5-3-1-2-4-6(10)11/h1-5H2,(H3,8,9,12)
InChIKeyQFVVUKRCSOCHPO-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.03
Rot. Bonds1

About (2-oxoazepan-1-yl)urea

(2-oxoazepan-1-yl)urea (PubChem CID 67625281) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2-oxoazepan-1-yl)urea.

Molecular Properties

Compound Name(2-oxoazepan-1-yl)urea
PubChem CID67625281
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(2-oxoazepan-1-yl)urea
SMILESNC(=O)NN1CCCCCC1=O
InChIInChI=1S/C7H13N3O2/c8-7(12)9-10-5-3-1-2-4-6(10)11/h1-5H2,(H3,8,9,12)
InChIKeyQFVVUKRCSOCHPO-UHFFFAOYSA-N
XLogP-0.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(2-oxopiperidin-1-yl)carbamate
CID 130667118
(2,6-dioxopiperidin-1-yl)urea
CID 19047183
1-(propan-2-ylamino)piperidin-2-one
CID 130717801
N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 166186141
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
propan-2-yl 2,4-dimethyl-5-[(2-oxopiperidin-1-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 91641999
1-acetylazonan-2-one
CID 19035113
1,3-bis[(2-oxoazonan-1-yl)methyl]urea
CID 23348617
1-acetylazepan-2-one;methane
CID 158348937
bicyclo[3.1.0]hexa-1(6),2,4-triene;(2,6-dioxopiperidin-1-yl)urea
CID 19047182

Frequently Asked Questions

What is the IUPAC name of (2-oxoazepan-1-yl)urea?
The IUPAC name of (2-oxoazepan-1-yl)urea (CID 67625281) is (2-oxoazepan-1-yl)urea.
What is the SMILES notation for (2-oxoazepan-1-yl)urea?
The canonical SMILES for (2-oxoazepan-1-yl)urea is NC(=O)NN1CCCCCC1=O.
What is the InChIKey of (2-oxoazepan-1-yl)urea?
The InChIKey is QFVVUKRCSOCHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-7(12)9-10-5-3-1-2-4-6(10)11/h1-5H2,(H3,8,9,12).
What are the key properties of (2-oxoazepan-1-yl)urea?
(2-oxoazepan-1-yl)urea has a molecular weight of 171.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoazepan-1-yl)urea is sourced from PubChem (CID 67625281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).