1-(1-cyanopropan-2-yl)-3-cyclopropylurea

C8H13N3O — CID 62699301

IUPAC1-(1-cyanopropan-2-yl)-3-cyclopropylurea
SMILESCC(CC#N)NC(=O)NC1CC1
InChIInChI=1S/C8H13N3O/c1-6(4-5-9)10-8(12)11-7-2-3-7/h6-7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyDRQMFGRWIDQCRE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds3

About 1-(1-cyanopropan-2-yl)-3-cyclopropylurea

1-(1-cyanopropan-2-yl)-3-cyclopropylurea (PubChem CID 62699301) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(1-cyanopropan-2-yl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(1-cyanopropan-2-yl)-3-cyclopropylurea
PubChem CID62699301
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(1-cyanopropan-2-yl)-3-cyclopropylurea
SMILESCC(CC#N)NC(=O)NC1CC1
InChIInChI=1S/C8H13N3O/c1-6(4-5-9)10-8(12)11-7-2-3-7/h6-7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyDRQMFGRWIDQCRE-UHFFFAOYSA-N
XLogP0.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-(1-cyanopropan-2-yl)-3-propan-2-ylurea
CID 62092806
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanopropan-2-yl)-3-cyclopropylurea?
The IUPAC name of 1-(1-cyanopropan-2-yl)-3-cyclopropylurea (CID 62699301) is 1-(1-cyanopropan-2-yl)-3-cyclopropylurea.
What is the SMILES notation for 1-(1-cyanopropan-2-yl)-3-cyclopropylurea?
The canonical SMILES for 1-(1-cyanopropan-2-yl)-3-cyclopropylurea is CC(CC#N)NC(=O)NC1CC1.
What is the InChIKey of 1-(1-cyanopropan-2-yl)-3-cyclopropylurea?
The InChIKey is DRQMFGRWIDQCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(4-5-9)10-8(12)11-7-2-3-7/h6-7H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 1-(1-cyanopropan-2-yl)-3-cyclopropylurea?
1-(1-cyanopropan-2-yl)-3-cyclopropylurea has a molecular weight of 167.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanopropan-2-yl)-3-cyclopropylurea is sourced from PubChem (CID 62699301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).