(E)-1-nitroundec-1-ene

C11H21NO2 — CID 139252684

IUPAC(E)-1-nitroundec-1-ene
SMILESCCCCCCCCC/C=C/[N+](=O)[O-]
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3/b11-10+
InChIKeyCVAAUZOIEFLZEK-ZHACJKMWSA-N
MW199.29 g/mol
LogP3.92
Rot. Bonds9

About (E)-1-nitroundec-1-ene

(E)-1-nitroundec-1-ene (PubChem CID 139252684) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-1-nitroundec-1-ene.

Molecular Properties

Compound Name(E)-1-nitroundec-1-ene
PubChem CID139252684
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-1-nitroundec-1-ene
SMILESCCCCCCCCC/C=C/[N+](=O)[O-]
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3/b11-10+
InChIKeyCVAAUZOIEFLZEK-ZHACJKMWSA-N
XLogP3.92
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-nitropentadec-1-ene
CID 14753110
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of (E)-1-nitroundec-1-ene?
The IUPAC name of (E)-1-nitroundec-1-ene (CID 139252684) is (E)-1-nitroundec-1-ene.
What is the SMILES notation for (E)-1-nitroundec-1-ene?
The canonical SMILES for (E)-1-nitroundec-1-ene is CCCCCCCCC/C=C/[N+](=O)[O-].
What is the InChIKey of (E)-1-nitroundec-1-ene?
The InChIKey is CVAAUZOIEFLZEK-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3/b11-10+.
What are the key properties of (E)-1-nitroundec-1-ene?
(E)-1-nitroundec-1-ene has a molecular weight of 199.29 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-nitroundec-1-ene is sourced from PubChem (CID 139252684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).