1-but-3-enyl-1,3-dimethylurea

C7H14N2O — CID 55300349

IUPAC1-but-3-enyl-1,3-dimethylurea
SMILESC=CCCN(C)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-4-5-6-9(3)7(10)8-2/h4H,1,5-6H2,2-3H3,(H,8,10)
InChIKeyFEDNBQRDDUHJTB-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.83
Rot. Bonds3

About 1-but-3-enyl-1,3-dimethylurea

1-but-3-enyl-1,3-dimethylurea (PubChem CID 55300349) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-but-3-enyl-1,3-dimethylurea.

Molecular Properties

Compound Name1-but-3-enyl-1,3-dimethylurea
PubChem CID55300349
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-but-3-enyl-1,3-dimethylurea
SMILESC=CCCN(C)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-4-5-6-9(3)7(10)8-2/h4H,1,5-6H2,2-3H3,(H,8,10)
InChIKeyFEDNBQRDDUHJTB-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 253050
1,3-Dimethyl-1-prop-2-enylurea
CID 13202347
N-(4-Pentenyl)-urea
CID 55289982
N'-Ethyl-N-methyl-N-prop-2-en-1-ylurea
CID 13202348
3-[(E)-but-2-enyl]-1,1-dimethylurea
CID 15112125
1-But-3-enyl-3-methyl-1-propan-2-ylurea
CID 85551378
1-But-3-enyl-1-tert-butyl-3-methylurea
CID 85551381
1-But-3-enyl-1,3-di(propan-2-yl)urea
CID 85551385
1-Pent-4-enyl-3-propylurea
CID 166447960
1-Methyl-1-pent-4-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115640624
1-Ethyl-3-prop-2-enylurea
CID 253125
N-Prop-2-enyl(propylamino)formamide
CID 4141942

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-1,3-dimethylurea?
The IUPAC name of 1-but-3-enyl-1,3-dimethylurea (CID 55300349) is 1-but-3-enyl-1,3-dimethylurea.
What is the SMILES notation for 1-but-3-enyl-1,3-dimethylurea?
The canonical SMILES for 1-but-3-enyl-1,3-dimethylurea is C=CCCN(C)C(=O)NC.
What is the InChIKey of 1-but-3-enyl-1,3-dimethylurea?
The InChIKey is FEDNBQRDDUHJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5-6-9(3)7(10)8-2/h4H,1,5-6H2,2-3H3,(H,8,10).
What are the key properties of 1-but-3-enyl-1,3-dimethylurea?
1-but-3-enyl-1,3-dimethylurea has a molecular weight of 142.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-1,3-dimethylurea is sourced from PubChem (CID 55300349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).