1-nitro-4-[(E)-pent-3-enyl]cyclohexane

C11H19NO2 — CID 140685569

IUPAC1-nitro-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC([N+](=O)[O-])CC1
InChIInChI=1S/C11H19NO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyPKLCUEJWGDQDNX-NSCUHMNNSA-N
MW197.28 g/mol
LogP3.18
Rot. Bonds4

About 1-nitro-4-[(E)-pent-3-enyl]cyclohexane

1-nitro-4-[(E)-pent-3-enyl]cyclohexane (PubChem CID 140685569) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-nitro-4-[(E)-pent-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-nitro-4-[(E)-pent-3-enyl]cyclohexane
PubChem CID140685569
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-nitro-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC([N+](=O)[O-])CC1
InChIInChI=1S/C11H19NO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyPKLCUEJWGDQDNX-NSCUHMNNSA-N
XLogP3.18
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

1-pent-3-enyl-4-propylcyclohexane
CID 72599468
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
CID 158715477
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
1-nitro-4-[(4-nitrocyclohexyl)methyl]cyclohexane
CID 10468354
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 140599571
1-(4-ethenylcyclohexyl)-4-[(E)-pent-3-enyl]cycloheptane
CID 142082200
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
2-[(E)-pent-3-enyl]-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866166

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-[(E)-pent-3-enyl]cyclohexane?
The IUPAC name of 1-nitro-4-[(E)-pent-3-enyl]cyclohexane (CID 140685569) is 1-nitro-4-[(E)-pent-3-enyl]cyclohexane.
What is the SMILES notation for 1-nitro-4-[(E)-pent-3-enyl]cyclohexane?
The canonical SMILES for 1-nitro-4-[(E)-pent-3-enyl]cyclohexane is C/C=C/CCC1CCC([N+](=O)[O-])CC1.
What is the InChIKey of 1-nitro-4-[(E)-pent-3-enyl]cyclohexane?
The InChIKey is PKLCUEJWGDQDNX-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h2-3,10-11H,4-9H2,1H3/b3-2+.
What are the key properties of 1-nitro-4-[(E)-pent-3-enyl]cyclohexane?
1-nitro-4-[(E)-pent-3-enyl]cyclohexane has a molecular weight of 197.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(E)-pent-3-enyl]cyclohexane is sourced from PubChem (CID 140685569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).