(Z)-2-nitrohept-2-en-1-ol

C7H13NO3 — CID 5362713

IUPAC(Z)-2-nitrohept-2-en-1-ol
SMILESCCCC/C=C(/CO)[N+](=O)[O-]
InChIInChI=1S/C7H13NO3/c1-2-3-4-5-7(6-9)8(10)11/h5,9H,2-4,6H2,1H3/b7-5-
InChIKeyZSRUFXLVZUINSH-ALCCZGGFSA-N
MW159.18 g/mol
LogP1.33
Rot. Bonds5

About (Z)-2-nitrohept-2-en-1-ol

(Z)-2-nitrohept-2-en-1-ol (PubChem CID 5362713) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (Z)-2-nitrohept-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-nitrohept-2-en-1-ol
PubChem CID5362713
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(Z)-2-nitrohept-2-en-1-ol
SMILESCCCC/C=C(/CO)[N+](=O)[O-]
InChIInChI=1S/C7H13NO3/c1-2-3-4-5-7(6-9)8(10)11/h5,9H,2-4,6H2,1H3/b7-5-
InChIKeyZSRUFXLVZUINSH-ALCCZGGFSA-N
XLogP1.33
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-nitrohept-2-en-1-ol?
The IUPAC name of (Z)-2-nitrohept-2-en-1-ol (CID 5362713) is (Z)-2-nitrohept-2-en-1-ol.
What is the SMILES notation for (Z)-2-nitrohept-2-en-1-ol?
The canonical SMILES for (Z)-2-nitrohept-2-en-1-ol is CCCC/C=C(/CO)[N+](=O)[O-].
What is the InChIKey of (Z)-2-nitrohept-2-en-1-ol?
The InChIKey is ZSRUFXLVZUINSH-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-3-4-5-7(6-9)8(10)11/h5,9H,2-4,6H2,1H3/b7-5-.
What are the key properties of (Z)-2-nitrohept-2-en-1-ol?
(Z)-2-nitrohept-2-en-1-ol has a molecular weight of 159.18 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-nitrohept-2-en-1-ol is sourced from PubChem (CID 5362713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).