1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea

C9H15N3O — CID 60781870

IUPAC1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea
SMILESCC(C#N)CN(C)C(=O)NC1CC1
InChIInChI=1S/C9H15N3O/c1-7(5-10)6-12(2)9(13)11-8-3-4-8/h7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyWMDYABBBVGBNHF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea

1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea (PubChem CID 60781870) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea.

Molecular Properties

Compound Name1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea
PubChem CID60781870
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea
SMILESCC(C#N)CN(C)C(=O)NC1CC1
InChIInChI=1S/C9H15N3O/c1-7(5-10)6-12(2)9(13)11-8-3-4-8/h7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyWMDYABBBVGBNHF-UHFFFAOYSA-N
XLogP0.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-cyanoaziridine-1-carboxamide
CID 9834058
2-Cyano-N-ethylaziridine-1-carboxamide
CID 9855493
N-tert-butyl-2-cyanoaziridine-1-carboxamide
CID 9898933
1-[(2S)-1-fluoropropan-2-yl]-3-(2-methylcyclopropyl)urea
CID 130832004
1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea
CID 130962027
1-(2-Cyanopropyl)-3-cyclopropyl-1-ethylurea
CID 61356379
N-(1-cyanoethyl)-N'-(1,1-dimethylpropyl)urea
CID 21316844
N-(1-cyanoethyl)-N'-(1,1-dimethylethyl)urea
CID 21316847
1-(1-Cyanoethyl)-1-(cyclopropylmethyl)urea
CID 21444334
N'-Cyclopropyl-N,N-dimethylurea
CID 23013949
1-Cyclopropyl-3-(2-methylpropyl)urea
CID 40077068
1-Methyl-3-(2-methylcyclopropyl)urea
CID 57692749

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea?
The IUPAC name of 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea (CID 60781870) is 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea.
What is the SMILES notation for 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea?
The canonical SMILES for 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea is CC(C#N)CN(C)C(=O)NC1CC1.
What is the InChIKey of 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea?
The InChIKey is WMDYABBBVGBNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(5-10)6-12(2)9(13)11-8-3-4-8/h7-8H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea?
1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea has a molecular weight of 181.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanopropyl)-3-cyclopropyl-1-methylurea is sourced from PubChem (CID 60781870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).