1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea

C12H13N3O — CID 47195799

IUPAC1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
SMILESN#Cc1cccc(NC(=O)NCC2CC2)c1
InChIInChI=1S/C12H13N3O/c13-7-10-2-1-3-11(6-10)15-12(16)14-8-9-4-5-9/h1-3,6,9H,4-5,8H2,(H2,14,15,16)
InChIKeyGJVSDJURPFXMHF-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.09
Rot. Bonds3

About 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea

1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea (PubChem CID 47195799) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
PubChem CID47195799
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
SMILESN#Cc1cccc(NC(=O)NCC2CC2)c1
InChIInChI=1S/C12H13N3O/c13-7-10-2-1-3-11(6-10)15-12(16)14-8-9-4-5-9/h1-3,6,9H,4-5,8H2,(H2,14,15,16)
InChIKeyGJVSDJURPFXMHF-UHFFFAOYSA-N
XLogP2.09
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 51106201
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-(3-cyanophenyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69475566
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
CID 43428235
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea (CID 47195799) is 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea is N#Cc1cccc(NC(=O)NCC2CC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea?
The InChIKey is GJVSDJURPFXMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-10-2-1-3-11(6-10)15-12(16)14-8-9-4-5-9/h1-3,6,9H,4-5,8H2,(H2,14,15,16).
What are the key properties of 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea?
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea has a molecular weight of 215.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea is sourced from PubChem (CID 47195799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).