(1-propan-2-ylazetidin-3-yl)urea

C7H15N3O — CID 130678981

IUPAC(1-propan-2-ylazetidin-3-yl)urea
SMILESCC(C)N1CC(NC(N)=O)C1
InChIInChI=1S/C7H15N3O/c1-5(2)10-3-6(4-10)9-7(8)11/h5-6H,3-4H2,1-2H3,(H3,8,9,11)
InChIKeyWCQFGGBBAVSBGX-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.25
Rot. Bonds2

About (1-propan-2-ylazetidin-3-yl)urea

(1-propan-2-ylazetidin-3-yl)urea (PubChem CID 130678981) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (1-propan-2-ylazetidin-3-yl)urea.

Molecular Properties

Compound Name(1-propan-2-ylazetidin-3-yl)urea
PubChem CID130678981
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(1-propan-2-ylazetidin-3-yl)urea
SMILESCC(C)N1CC(NC(N)=O)C1
InChIInChI=1S/C7H15N3O/c1-5(2)10-3-6(4-10)9-7(8)11/h5-6H,3-4H2,1-2H3,(H3,8,9,11)
InChIKeyWCQFGGBBAVSBGX-UHFFFAOYSA-N
XLogP-0.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide
CID 130736000
N-(1-propan-2-ylazetidin-3-yl)azetidine-2-carboxamide
CID 131007923
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
azetidin-3-ylurea
CID 66186769
2,2-dimethyl-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)propanamide
CID 112542188
cyclobutylurea;ethane
CID 145319429
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
CID 129237445
cyclohexylurea;methanamine
CID 142108304

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylazetidin-3-yl)urea?
The IUPAC name of (1-propan-2-ylazetidin-3-yl)urea (CID 130678981) is (1-propan-2-ylazetidin-3-yl)urea.
What is the SMILES notation for (1-propan-2-ylazetidin-3-yl)urea?
The canonical SMILES for (1-propan-2-ylazetidin-3-yl)urea is CC(C)N1CC(NC(N)=O)C1.
What is the InChIKey of (1-propan-2-ylazetidin-3-yl)urea?
The InChIKey is WCQFGGBBAVSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(2)10-3-6(4-10)9-7(8)11/h5-6H,3-4H2,1-2H3,(H3,8,9,11).
What are the key properties of (1-propan-2-ylazetidin-3-yl)urea?
(1-propan-2-ylazetidin-3-yl)urea has a molecular weight of 157.22 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylazetidin-3-yl)urea is sourced from PubChem (CID 130678981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).