(3E)-1,1-bis(ethenyl)-3-propylideneurea

C8H12N2O — CID 88599414

IUPAC(3E)-1,1-bis(ethenyl)-3-propylideneurea
SMILESC=CN(C=C)C(=O)/N=C/CC
InChIInChI=1S/C8H12N2O/c1-4-7-9-8(11)10(5-2)6-3/h5-7H,2-4H2,1H3/b9-7+
InChIKeyOEHHAMWXJLEVFW-VQHVLOKHSA-N
MW152.20 g/mol
LogP2.18
Rot. Bonds3

About (3E)-1,1-bis(ethenyl)-3-propylideneurea

(3E)-1,1-bis(ethenyl)-3-propylideneurea (PubChem CID 88599414) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (3E)-1,1-bis(ethenyl)-3-propylideneurea.

Molecular Properties

Compound Name(3E)-1,1-bis(ethenyl)-3-propylideneurea
PubChem CID88599414
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(3E)-1,1-bis(ethenyl)-3-propylideneurea
SMILESC=CN(C=C)C(=O)/N=C/CC
InChIInChI=1S/C8H12N2O/c1-4-7-9-8(11)10(5-2)6-3/h5-7H,2-4H2,1H3/b9-7+
InChIKeyOEHHAMWXJLEVFW-VQHVLOKHSA-N
XLogP2.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-1,1-bis(ethenyl)-3-propylideneurea?
The IUPAC name of (3E)-1,1-bis(ethenyl)-3-propylideneurea (CID 88599414) is (3E)-1,1-bis(ethenyl)-3-propylideneurea.
What is the SMILES notation for (3E)-1,1-bis(ethenyl)-3-propylideneurea?
The canonical SMILES for (3E)-1,1-bis(ethenyl)-3-propylideneurea is C=CN(C=C)C(=O)/N=C/CC.
What is the InChIKey of (3E)-1,1-bis(ethenyl)-3-propylideneurea?
The InChIKey is OEHHAMWXJLEVFW-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7-9-8(11)10(5-2)6-3/h5-7H,2-4H2,1H3/b9-7+.
What are the key properties of (3E)-1,1-bis(ethenyl)-3-propylideneurea?
(3E)-1,1-bis(ethenyl)-3-propylideneurea has a molecular weight of 152.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1-bis(ethenyl)-3-propylideneurea is sourced from PubChem (CID 88599414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).