hept-2-ene;urea

C8H18N2O — CID 160947512

IUPAChept-2-ene;urea
SMILESCC=CCCCC.NC(N)=O
InChIInChI=1S/C7H14.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3,5H,4,6-7H2,1-2H3;(H4,2,3,4)
InChIKeySVHUMDVGZIBLSE-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.78
Rot. Bonds3

About hept-2-ene;urea

hept-2-ene;urea (PubChem CID 160947512) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is hept-2-ene;urea.

Molecular Properties

Compound Namehept-2-ene;urea
PubChem CID160947512
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Namehept-2-ene;urea
SMILESCC=CCCCC.NC(N)=O
InChIInChI=1S/C7H14.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3,5H,4,6-7H2,1-2H3;(H4,2,3,4)
InChIKeySVHUMDVGZIBLSE-UHFFFAOYSA-N
XLogP1.78
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hept-2-ene;urea?
The IUPAC name of hept-2-ene;urea (CID 160947512) is hept-2-ene;urea.
What is the SMILES notation for hept-2-ene;urea?
The canonical SMILES for hept-2-ene;urea is CC=CCCCC.NC(N)=O.
What is the InChIKey of hept-2-ene;urea?
The InChIKey is SVHUMDVGZIBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3,5H,4,6-7H2,1-2H3;(H4,2,3,4).
What are the key properties of hept-2-ene;urea?
hept-2-ene;urea has a molecular weight of 158.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-ene;urea is sourced from PubChem (CID 160947512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).