(E)-6-nitrosohex-2-ene

C6H11NO — CID 89018657

IUPAC(E)-6-nitrosohex-2-ene
SMILESC/C=C/CCCN=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6-7-8/h2-3H,4-6H2,1H3/b3-2+
InChIKeyOFHPRBNFRNVHAD-NSCUHMNNSA-N
MW113.16 g/mol
LogP2.11
Rot. Bonds4

About (E)-6-nitrosohex-2-ene

(E)-6-nitrosohex-2-ene (PubChem CID 89018657) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-6-nitrosohex-2-ene.

Molecular Properties

Compound Name(E)-6-nitrosohex-2-ene
PubChem CID89018657
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-6-nitrosohex-2-ene
SMILESC/C=C/CCCN=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6-7-8/h2-3H,4-6H2,1H3/b3-2+
InChIKeyOFHPRBNFRNVHAD-NSCUHMNNSA-N
XLogP2.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-nitrosodec-4-ene
CID 156792412
5-(2-nitrosoethoxy)pent-2-ene
CID 91315143
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(Z)-hept-5-enal
CID 12625719
(E)-tetradec-12-enal
CID 5353009
(Z)-1-nitrosodec-3-ene
CID 173489442
(Z)-6-nitroso-3-propan-2-ylhex-2-ene
CID 163554902
undeca-4,9-dienal
CID 72565371
(E)-hept-5-enamide
CID 18415105
(Z)-oct-2-ene
CID 5356796

Frequently Asked Questions

What is the IUPAC name of (E)-6-nitrosohex-2-ene?
The IUPAC name of (E)-6-nitrosohex-2-ene (CID 89018657) is (E)-6-nitrosohex-2-ene.
What is the SMILES notation for (E)-6-nitrosohex-2-ene?
The canonical SMILES for (E)-6-nitrosohex-2-ene is C/C=C/CCCN=O.
What is the InChIKey of (E)-6-nitrosohex-2-ene?
The InChIKey is OFHPRBNFRNVHAD-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-5-6-7-8/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-6-nitrosohex-2-ene?
(E)-6-nitrosohex-2-ene has a molecular weight of 113.16 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-nitrosohex-2-ene is sourced from PubChem (CID 89018657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).