1-pent-4-en-2-yl-3-propan-2-ylurea

C9H18N2O — CID 115633260

IUPAC1-pent-4-en-2-yl-3-propan-2-ylurea
SMILESC=CCC(C)NC(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-8(4)11-9(12)10-7(2)3/h5,7-8H,1,6H2,2-4H3,(H2,10,11,12)
InChIKeyMHPOQKPPNJVRBB-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.66
Rot. Bonds4

About 1-pent-4-en-2-yl-3-propan-2-ylurea

1-pent-4-en-2-yl-3-propan-2-ylurea (PubChem CID 115633260) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-pent-4-en-2-yl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-pent-4-en-2-yl-3-propan-2-ylurea
PubChem CID115633260
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-pent-4-en-2-yl-3-propan-2-ylurea
SMILESC=CCC(C)NC(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-8(4)11-9(12)10-7(2)3/h5,7-8H,1,6H2,2-4H3,(H2,10,11,12)
InChIKeyMHPOQKPPNJVRBB-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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-pent-4-en-2-yl-3-propan-2-ylurea?
The IUPAC name of 1-pent-4-en-2-yl-3-propan-2-ylurea (CID 115633260) is 1-pent-4-en-2-yl-3-propan-2-ylurea.
What is the SMILES notation for 1-pent-4-en-2-yl-3-propan-2-ylurea?
The canonical SMILES for 1-pent-4-en-2-yl-3-propan-2-ylurea is C=CCC(C)NC(=O)NC(C)C.
What is the InChIKey of 1-pent-4-en-2-yl-3-propan-2-ylurea?
The InChIKey is MHPOQKPPNJVRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-8(4)11-9(12)10-7(2)3/h5,7-8H,1,6H2,2-4H3,(H2,10,11,12).
What are the key properties of 1-pent-4-en-2-yl-3-propan-2-ylurea?
1-pent-4-en-2-yl-3-propan-2-ylurea has a molecular weight of 170.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-en-2-yl-3-propan-2-ylurea is sourced from PubChem (CID 115633260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).