(Z)-1-chloro-1-nitrohept-1-ene

C7H12ClNO2 — CID 134986529

IUPAC(Z)-1-chloro-1-nitrohept-1-ene
SMILESCCCCC/C=C(\Cl)[N+](=O)[O-]
InChIInChI=1S/C7H12ClNO2/c1-2-3-4-5-6-7(8)9(10)11/h6H,2-5H2,1H3/b7-6+
InChIKeyRBUJDMKBJCNNSJ-VOTSOKGWSA-N
MW177.63 g/mol
LogP2.92
Rot. Bonds5

About (Z)-1-chloro-1-nitrohept-1-ene

(Z)-1-chloro-1-nitrohept-1-ene (PubChem CID 134986529) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (Z)-1-chloro-1-nitrohept-1-ene.

Molecular Properties

Compound Name(Z)-1-chloro-1-nitrohept-1-ene
PubChem CID134986529
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(Z)-1-chloro-1-nitrohept-1-ene
SMILESCCCCC/C=C(\Cl)[N+](=O)[O-]
InChIInChI=1S/C7H12ClNO2/c1-2-3-4-5-6-7(8)9(10)11/h6H,2-5H2,1H3/b7-6+
InChIKeyRBUJDMKBJCNNSJ-VOTSOKGWSA-N
XLogP2.92
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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

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6-nitroundec-5-ene
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(E)-1-nitro-1-pentylsulfinylhept-1-ene
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(Z)-10-nitroicos-9-enal
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(E)-10-nitrooctadec-9-enoate
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(E)-1-chloro-1-fluorohept-1-ene
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(Z)-2-chlorooct-2-enoic acid
CID 101279333
1-chlorooctadec-1-en-1-amine
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(9E,12E)-10,13-dinitrooctadeca-9,12-dienal
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-1-nitrohept-1-ene?
The IUPAC name of (Z)-1-chloro-1-nitrohept-1-ene (CID 134986529) is (Z)-1-chloro-1-nitrohept-1-ene.
What is the SMILES notation for (Z)-1-chloro-1-nitrohept-1-ene?
The canonical SMILES for (Z)-1-chloro-1-nitrohept-1-ene is CCCCC/C=C(\Cl)[N+](=O)[O-].
What is the InChIKey of (Z)-1-chloro-1-nitrohept-1-ene?
The InChIKey is RBUJDMKBJCNNSJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-2-3-4-5-6-7(8)9(10)11/h6H,2-5H2,1H3/b7-6+.
What are the key properties of (Z)-1-chloro-1-nitrohept-1-ene?
(Z)-1-chloro-1-nitrohept-1-ene has a molecular weight of 177.63 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-1-nitrohept-1-ene is sourced from PubChem (CID 134986529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).