3-methylidenepent-4-enylurea

C7H12N2O — CID 123916806

IUPAC3-methylidenepent-4-enylurea
SMILESC=CC(=C)CCNC(N)=O
InChIInChI=1S/C7H12N2O/c1-3-6(2)4-5-9-7(8)10/h3H,1-2,4-5H2,(H3,8,9,10)
InChIKeyGGGGGXKMTKEKFZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.79
Rot. Bonds4

About 3-methylidenepent-4-enylurea

3-methylidenepent-4-enylurea (PubChem CID 123916806) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-methylidenepent-4-enylurea.

Molecular Properties

Compound Name3-methylidenepent-4-enylurea
PubChem CID123916806
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-methylidenepent-4-enylurea
SMILESC=CC(=C)CCNC(N)=O
InChIInChI=1S/C7H12N2O/c1-3-6(2)4-5-9-7(8)10/h3H,1-2,4-5H2,(H3,8,9,10)
InChIKeyGGGGGXKMTKEKFZ-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-Pentenyl)-urea
CID 55289982
n-5-Hexenyl urea
CID 55291393
1-Pent-4-enyl-3-propylurea
CID 166447960
3-Butenylurea
CID 15205523
2-Ethenylbut-3-enylurea
CID 87783517
Hexa-1,5-dien-3-ylurea
CID 88060133
3-Methylbut-3-enylurea
CID 88253915
3-(Aminomethyl)but-3-enylurea
CID 88891423
2-Methylidenebut-3-enylurea
CID 88982925
[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea
CID 89058335
1-Methyl-3-(2-methylidenebut-3-enyl)urea
CID 90221782
Pent-4-en-2-ylurea
CID 115633510

Frequently Asked Questions

What is the IUPAC name of 3-methylidenepent-4-enylurea?
The IUPAC name of 3-methylidenepent-4-enylurea (CID 123916806) is 3-methylidenepent-4-enylurea.
What is the SMILES notation for 3-methylidenepent-4-enylurea?
The canonical SMILES for 3-methylidenepent-4-enylurea is C=CC(=C)CCNC(N)=O.
What is the InChIKey of 3-methylidenepent-4-enylurea?
The InChIKey is GGGGGXKMTKEKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6(2)4-5-9-7(8)10/h3H,1-2,4-5H2,(H3,8,9,10).
What are the key properties of 3-methylidenepent-4-enylurea?
3-methylidenepent-4-enylurea has a molecular weight of 140.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepent-4-enylurea is sourced from PubChem (CID 123916806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).