3-methylidenepenta-1,4-diene;urea

C7H12N2O — CID 19937026

IUPAC3-methylidenepenta-1,4-diene;urea
SMILESC=CC(=C)C=C.NC(N)=O
InChIInChI=1S/C6H8.CH4N2O/c1-4-6(3)5-2;2-1(3)4/h4-5H,1-3H2;(H4,2,3,4)
InChIKeyBXUCUSDRRCXRQY-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.94
Rot. Bonds2

About 3-methylidenepenta-1,4-diene;urea

3-methylidenepenta-1,4-diene;urea (PubChem CID 19937026) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-methylidenepenta-1,4-diene;urea.

Molecular Properties

Compound Name3-methylidenepenta-1,4-diene;urea
PubChem CID19937026
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-methylidenepenta-1,4-diene;urea
SMILESC=CC(=C)C=C.NC(N)=O
InChIInChI=1S/C6H8.CH4N2O/c1-4-6(3)5-2;2-1(3)4/h4-5H,1-3H2;(H4,2,3,4)
InChIKeyBXUCUSDRRCXRQY-UHFFFAOYSA-N
XLogP0.94
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenepenta-1,4-diene;urea?
The IUPAC name of 3-methylidenepenta-1,4-diene;urea (CID 19937026) is 3-methylidenepenta-1,4-diene;urea.
What is the SMILES notation for 3-methylidenepenta-1,4-diene;urea?
The canonical SMILES for 3-methylidenepenta-1,4-diene;urea is C=CC(=C)C=C.NC(N)=O.
What is the InChIKey of 3-methylidenepenta-1,4-diene;urea?
The InChIKey is BXUCUSDRRCXRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.CH4N2O/c1-4-6(3)5-2;2-1(3)4/h4-5H,1-3H2;(H4,2,3,4).
What are the key properties of 3-methylidenepenta-1,4-diene;urea?
3-methylidenepenta-1,4-diene;urea has a molecular weight of 140.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepenta-1,4-diene;urea is sourced from PubChem (CID 19937026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).