[(E)-pent-2-en-2-yl]urea

C6H12N2O — CID 71773699

IUPAC[(E)-pent-2-en-2-yl]urea
SMILESCC/C=C(\C)NC(N)=O
InChIInChI=1S/C6H12N2O/c1-3-4-5(2)8-6(7)9/h4H,3H2,1-2H3,(H3,7,8,9)/b5-4+
InChIKeyLCOQDBDRKFEXRY-SNAWJCMRSA-N
MW128.17 g/mol
LogP0.97
Rot. Bonds2

About [(E)-pent-2-en-2-yl]urea

[(E)-pent-2-en-2-yl]urea (PubChem CID 71773699) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is [(E)-pent-2-en-2-yl]urea.

Molecular Properties

Compound Name[(E)-pent-2-en-2-yl]urea
PubChem CID71773699
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name[(E)-pent-2-en-2-yl]urea
SMILESCC/C=C(\C)NC(N)=O
InChIInChI=1S/C6H12N2O/c1-3-4-5(2)8-6(7)9/h4H,3H2,1-2H3,(H3,7,8,9)/b5-4+
InChIKeyLCOQDBDRKFEXRY-SNAWJCMRSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

but-1-ene;carbamoylurea
CID 174833277
[(Z)-4-oxopent-2-en-2-yl]urea
CID 13320940
carbamoylurea;2-methylhex-2-ene
CID 174255335
carbamoylcarbamic acid;2-methylpent-2-eneperoxoic acid
CID 174561405
2-methylpent-2-enamide
CID 66895957
(carbamoylamino) 2-methylpent-2-enoate
CID 173054896
2-[[(E)-pent-2-en-2-yl]amino]acetic acid
CID 155297764
[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea
CID 153341495
(Z)-2-aminopent-2-enamide
CID 19089602
methanamine;(Z)-pent-2-en-2-amine
CID 145487101
(E)-2-amino-N-methylpent-2-enamide
CID 166472406
CID 158703292
CID 158703292

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-2-en-2-yl]urea?
The IUPAC name of [(E)-pent-2-en-2-yl]urea (CID 71773699) is [(E)-pent-2-en-2-yl]urea.
What is the SMILES notation for [(E)-pent-2-en-2-yl]urea?
The canonical SMILES for [(E)-pent-2-en-2-yl]urea is CC/C=C(\C)NC(N)=O.
What is the InChIKey of [(E)-pent-2-en-2-yl]urea?
The InChIKey is LCOQDBDRKFEXRY-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-5(2)8-6(7)9/h4H,3H2,1-2H3,(H3,7,8,9)/b5-4+.
What are the key properties of [(E)-pent-2-en-2-yl]urea?
[(E)-pent-2-en-2-yl]urea has a molecular weight of 128.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-2-en-2-yl]urea is sourced from PubChem (CID 71773699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).