[(E)-2-chloroprop-2-enylideneamino]urea

C4H6ClN3O — CID 55288977

IUPAC[(E)-2-chloroprop-2-enylideneamino]urea
SMILESC=C(Cl)/C=N/NC(N)=O
InChIInChI=1S/C4H6ClN3O/c1-3(5)2-7-8-4(6)9/h2H,1H2,(H3,6,8,9)/b7-2+
InChIKeyMBUXISGSOBDLGW-FARCUNLSSA-N
MW147.56 g/mol
LogP0.39
Rot. Bonds2

About [(E)-2-chloroprop-2-enylideneamino]urea

[(E)-2-chloroprop-2-enylideneamino]urea (PubChem CID 55288977) has the molecular formula C4H6ClN3O and a molecular weight of 147.56 g/mol. Its IUPAC name is [(E)-2-chloroprop-2-enylideneamino]urea.

Molecular Properties

Compound Name[(E)-2-chloroprop-2-enylideneamino]urea
PubChem CID55288977
Molecular FormulaC4H6ClN3O
Molecular Weight147.56 g/mol
Exact Mass147.02
IUPAC Name[(E)-2-chloroprop-2-enylideneamino]urea
SMILESC=C(Cl)/C=N/NC(N)=O
InChIInChI=1S/C4H6ClN3O/c1-3(5)2-7-8-4(6)9/h2H,1H2,(H3,6,8,9)/b7-2+
InChIKeyMBUXISGSOBDLGW-FARCUNLSSA-N
XLogP0.39
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-oxopropylideneamino]urea
CID 13238217
4-(carbamoylhydrazinylidene)-2,3-dichlorobut-2-enoate
CID 7004817
[(E)-2-oxobutylideneamino]urea
CID 55288593
1,1-dichloroethene;urea
CID 174817007
[(E)-cyanomethylideneamino]urea
CID 14898848
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
CID 138525483
[(4-bromo-2-chlorophenyl)methylideneamino]urea
CID 137318192
[(Z)-[(Z)-but-2-enylidene]amino]urea
CID 92532250
[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
CID 6803115
[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea
CID 119098460
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967

Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloroprop-2-enylideneamino]urea?
The IUPAC name of [(E)-2-chloroprop-2-enylideneamino]urea (CID 55288977) is [(E)-2-chloroprop-2-enylideneamino]urea.
What is the SMILES notation for [(E)-2-chloroprop-2-enylideneamino]urea?
The canonical SMILES for [(E)-2-chloroprop-2-enylideneamino]urea is C=C(Cl)/C=N/NC(N)=O.
What is the InChIKey of [(E)-2-chloroprop-2-enylideneamino]urea?
The InChIKey is MBUXISGSOBDLGW-FARCUNLSSA-N. The full InChI is InChI=1S/C4H6ClN3O/c1-3(5)2-7-8-4(6)9/h2H,1H2,(H3,6,8,9)/b7-2+.
What are the key properties of [(E)-2-chloroprop-2-enylideneamino]urea?
[(E)-2-chloroprop-2-enylideneamino]urea has a molecular weight of 147.56 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloroprop-2-enylideneamino]urea is sourced from PubChem (CID 55288977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).