1,3-bis(penta-1,4-dien-3-yl)urea

C11H16N2O — CID 88606753

IUPAC1,3-bis(penta-1,4-dien-3-yl)urea
SMILESC=CC(C=C)NC(=O)NC(C=C)C=C
InChIInChI=1S/C11H16N2O/c1-5-9(6-2)12-11(14)13-10(7-3)8-4/h5-10H,1-4H2,(H2,12,13,14)
InChIKeySEIZCPLJRUGWHV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds6

About 1,3-bis(penta-1,4-dien-3-yl)urea

1,3-bis(penta-1,4-dien-3-yl)urea (PubChem CID 88606753) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,3-bis(penta-1,4-dien-3-yl)urea.

Molecular Properties

Compound Name1,3-bis(penta-1,4-dien-3-yl)urea
PubChem CID88606753
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1,3-bis(penta-1,4-dien-3-yl)urea
SMILESC=CC(C=C)NC(=O)NC(C=C)C=C
InChIInChI=1S/C11H16N2O/c1-5-9(6-2)12-11(14)13-10(7-3)8-4/h5-10H,1-4H2,(H2,12,13,14)
InChIKeySEIZCPLJRUGWHV-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-bis(penta-1,4-dien-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-Di-2-propen-1-ylurea
CID 74537
3,4-Di-hydro-4-methyl-2(1H)-pyrimidinon
CID 14689526
1-Ethyl-3-(1-fluoropent-4-en-2-yl)urea
CID 163278546
(Butylamino)-N-prop-2-enylformamide
CID 4199411
3-Hex-1-en-3-yl-1,1-dimethylurea
CID 15112129
1,3-Di(propan-2-yl)-1-prop-2-enylurea
CID 85551224
1-But-3-enyl-3-methyl-1-propan-2-ylurea
CID 85551378
1-But-3-enyl-1,3-di(propan-2-yl)urea
CID 85551385
2,3,6-Cycloheptatrienyl urea
CID 129812386
N,N'-di(cyclohepta-2,4,6-trien-1-yl)-urea
CID 134104947
1-Pent-4-enyl-3-propylurea
CID 166447960
1-But-3-en-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 115690766

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(penta-1,4-dien-3-yl)urea?
The IUPAC name of 1,3-bis(penta-1,4-dien-3-yl)urea (CID 88606753) is 1,3-bis(penta-1,4-dien-3-yl)urea.
What is the SMILES notation for 1,3-bis(penta-1,4-dien-3-yl)urea?
The canonical SMILES for 1,3-bis(penta-1,4-dien-3-yl)urea is C=CC(C=C)NC(=O)NC(C=C)C=C.
What is the InChIKey of 1,3-bis(penta-1,4-dien-3-yl)urea?
The InChIKey is SEIZCPLJRUGWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-5-9(6-2)12-11(14)13-10(7-3)8-4/h5-10H,1-4H2,(H2,12,13,14).
What are the key properties of 1,3-bis(penta-1,4-dien-3-yl)urea?
1,3-bis(penta-1,4-dien-3-yl)urea has a molecular weight of 192.26 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(penta-1,4-dien-3-yl)urea is sourced from PubChem (CID 88606753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).