3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea

C10H20N2O — CID 134989608

IUPAC3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea
SMILESC/C=C/C(CCC)NC(=O)N(C)C
InChIInChI=1S/C10H20N2O/c1-5-7-9(8-6-2)11-10(13)12(3)4/h5,7,9H,6,8H2,1-4H3,(H,11,13)/b7-5+
InChIKeySGIDYMSRUUOCTM-FNORWQNLSA-N
MW184.28 g/mol
LogP2.00
Rot. Bonds4

About 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea

3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea (PubChem CID 134989608) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea
PubChem CID134989608
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea
SMILESC/C=C/C(CCC)NC(=O)N(C)C
InChIInChI=1S/C10H20N2O/c1-5-7-9(8-6-2)11-10(13)12(3)4/h5,7,9H,6,8H2,1-4H3,(H,11,13)/b7-5+
InChIKeySGIDYMSRUUOCTM-FNORWQNLSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
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 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea?
The IUPAC name of 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea (CID 134989608) is 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea is C/C=C/C(CCC)NC(=O)N(C)C.
What is the InChIKey of 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea?
The InChIKey is SGIDYMSRUUOCTM-FNORWQNLSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-7-9(8-6-2)11-10(13)12(3)4/h5,7,9H,6,8H2,1-4H3,(H,11,13)/b7-5+.
What are the key properties of 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea?
3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea has a molecular weight of 184.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 134989608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).