1-[(Z)-prop-1-enyl]-3-prop-2-enylurea

C7H12N2O — CID 89197256

IUPAC1-[(Z)-prop-1-enyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N/C=C\C
InChIInChI=1S/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4,6H,1,5H2,2H3,(H2,8,9,10)/b6-4-
InChIKeyBWWWYXJCYOSHRG-XQRVVYSFSA-N
MW140.19 g/mol
LogP1.01
Rot. Bonds3

About 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea

1-[(Z)-prop-1-enyl]-3-prop-2-enylurea (PubChem CID 89197256) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-3-prop-2-enylurea
PubChem CID89197256
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-[(Z)-prop-1-enyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N/C=C\C
InChIInChI=1S/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4,6H,1,5H2,2H3,(H2,8,9,10)/b6-4-
InChIKeyBWWWYXJCYOSHRG-XQRVVYSFSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea?
The IUPAC name of 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea (CID 89197256) is 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea is C=CCNC(=O)N/C=C\C.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea?
The InChIKey is BWWWYXJCYOSHRG-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4,6H,1,5H2,2H3,(H2,8,9,10)/b6-4-.
What are the key properties of 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea?
1-[(Z)-prop-1-enyl]-3-prop-2-enylurea has a molecular weight of 140.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-3-prop-2-enylurea is sourced from PubChem (CID 89197256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).