1-ethyl-3-[(E)-4-methylpent-2-enyl]urea

C9H18N2O — CID 21027114

IUPAC1-ethyl-3-[(E)-4-methylpent-2-enyl]urea
SMILESCCNC(=O)NC/C=C/C(C)C
InChIInChI=1S/C9H18N2O/c1-4-10-9(12)11-7-5-6-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,10,11,12)/b6-5+
InChIKeyCJVUYIDGHHNBSV-AATRIKPKSA-N
MW170.26 g/mol
LogP1.52
Rot. Bonds4

About 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea

1-ethyl-3-[(E)-4-methylpent-2-enyl]urea (PubChem CID 21027114) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-4-methylpent-2-enyl]urea
PubChem CID21027114
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-ethyl-3-[(E)-4-methylpent-2-enyl]urea
SMILESCCNC(=O)NC/C=C/C(C)C
InChIInChI=1S/C9H18N2O/c1-4-10-9(12)11-7-5-6-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,10,11,12)/b6-5+
InChIKeyCJVUYIDGHHNBSV-AATRIKPKSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Isobutyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10833278
1,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]urea
CID 102430048
N-tert-Butyl-3,6-dihydropyridine-1(2H)-carboxamide
CID 13141785
N'-[(2E)-2-hexenyl]-N,N-dimethylurea
CID 15112126
N-Ethyl-3,6-dihydropyridine-1(2H)-carboxamide
CID 13141782
N-Propyl-3,6-dihydropyridine-1(2H)-carboxamide
CID 13141783
1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
CID 14834766
Pent-3-enylurea
CID 53679582
Pent-2-enylurea
CID 54059184
1-(2-Methylpropyl)-3-prop-2-enylurea
CID 58906560
2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 70353666
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-ethylurea
CID 72190205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea?
The IUPAC name of 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea (CID 21027114) is 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea.
What is the SMILES notation for 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea?
The canonical SMILES for 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea is CCNC(=O)NC/C=C/C(C)C.
What is the InChIKey of 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea?
The InChIKey is CJVUYIDGHHNBSV-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-10-9(12)11-7-5-6-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,10,11,12)/b6-5+.
What are the key properties of 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea?
1-ethyl-3-[(E)-4-methylpent-2-enyl]urea has a molecular weight of 170.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-4-methylpent-2-enyl]urea is sourced from PubChem (CID 21027114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).