1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea

C8H13N3O — CID 21444334

IUPAC1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea
SMILESCC(C#N)N(CC1CC1)C(N)=O
InChIInChI=1S/C8H13N3O/c1-6(4-9)11(8(10)12)5-7-2-3-7/h6-7H,2-3,5H2,1H3,(H2,10,12)
InChIKeyFRCCAMCFCKZSJP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds3

About 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea

1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea (PubChem CID 21444334) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea.

Molecular Properties

Compound Name1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea
PubChem CID21444334
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea
SMILESCC(C#N)N(CC1CC1)C(N)=O
InChIInChI=1S/C8H13N3O/c1-6(4-9)11(8(10)12)5-7-2-3-7/h6-7H,2-3,5H2,1H3,(H2,10,12)
InChIKeyFRCCAMCFCKZSJP-UHFFFAOYSA-N
XLogP0.69
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea?
The IUPAC name of 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea (CID 21444334) is 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea.
What is the SMILES notation for 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea?
The canonical SMILES for 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea is CC(C#N)N(CC1CC1)C(N)=O.
What is the InChIKey of 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea?
The InChIKey is FRCCAMCFCKZSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(4-9)11(8(10)12)5-7-2-3-7/h6-7H,2-3,5H2,1H3,(H2,10,12).
What are the key properties of 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea?
1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea has a molecular weight of 167.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanoethyl)-1-(cyclopropylmethyl)urea is sourced from PubChem (CID 21444334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).