bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea

C15H21ClN2O — CID 174302962

IUPACbicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea
SMILESC1CC2CC2C1.CC(NC(N)=O)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O.C6H10/c1-6(12-9(11)13)7-4-2-3-5-8(7)10;1-2-5-4-6(5)3-1/h2-6H,1H3,(H3,11,12,13);5-6H,1-4H2
InChIKeyVYXZBGHOSSXKSO-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.88
Rot. Bonds2

About bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea

bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea (PubChem CID 174302962) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea
PubChem CID174302962
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Namebicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea
SMILESC1CC2CC2C1.CC(NC(N)=O)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O.C6H10/c1-6(12-9(11)13)7-4-2-3-5-8(7)10;1-2-5-4-6(5)3-1/h2-6H,1H3,(H3,11,12,13);5-6H,1-4H2
InChIKeyVYXZBGHOSSXKSO-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893442
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
CID 62362251
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922688
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
N-[1-(2-chlorophenyl)ethyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921408

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea?
The IUPAC name of bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea (CID 174302962) is bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea.
What is the SMILES notation for bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea?
The canonical SMILES for bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea is C1CC2CC2C1.CC(NC(N)=O)c1ccccc1Cl.
What is the InChIKey of bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea?
The InChIKey is VYXZBGHOSSXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.C6H10/c1-6(12-9(11)13)7-4-2-3-5-8(7)10;1-2-5-4-6(5)3-1/h2-6H,1H3,(H3,11,12,13);5-6H,1-4H2.
What are the key properties of bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea?
bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea has a molecular weight of 280.80 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea is sourced from PubChem (CID 174302962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).