1-nitro-3-pent-4-enoxybenzene

C11H13NO3 — CID 11183362

IUPAC1-nitro-3-pent-4-enoxybenzene
SMILESC=CCCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13NO3/c1-2-3-4-8-15-11-7-5-6-10(9-11)12(13)14/h2,5-7,9H,1,3-4,8H2
InChIKeyJKPNYJAVYJJZAA-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.94
Rot. Bonds6

About 1-nitro-3-pent-4-enoxybenzene

1-nitro-3-pent-4-enoxybenzene (PubChem CID 11183362) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-nitro-3-pent-4-enoxybenzene.

Molecular Properties

Compound Name1-nitro-3-pent-4-enoxybenzene
PubChem CID11183362
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-nitro-3-pent-4-enoxybenzene
SMILESC=CCCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13NO3/c1-2-3-4-8-15-11-7-5-6-10(9-11)12(13)14/h2,5-7,9H,1,3-4,8H2
InChIKeyJKPNYJAVYJJZAA-UHFFFAOYSA-N
XLogP2.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
(3-nitrophenyl) undec-10-enoate
CID 86208856
1-nitro-3-octoxybenzene
CID 3442932
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
1-(2-ethylsulfanylethoxy)-3-nitrobenzene
CID 60542074
(3-nitro-5-pent-4-enoxyphenyl)hydrazine
CID 80922666
3-[4-(3-nitrophenoxy)butoxy]benzonitrile
CID 125468946
2-chloro-1-nitro-4-pent-4-enoxybenzene
CID 78992954
4-(3-nitrophenoxy)butan-2-one
CID 60693072
3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine
CID 22012920
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
1-methoxy-3-pent-4-enoxybenzene
CID 10750277

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-pent-4-enoxybenzene?
The IUPAC name of 1-nitro-3-pent-4-enoxybenzene (CID 11183362) is 1-nitro-3-pent-4-enoxybenzene.
What is the SMILES notation for 1-nitro-3-pent-4-enoxybenzene?
The canonical SMILES for 1-nitro-3-pent-4-enoxybenzene is C=CCCCOc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-nitro-3-pent-4-enoxybenzene?
The InChIKey is JKPNYJAVYJJZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-3-4-8-15-11-7-5-6-10(9-11)12(13)14/h2,5-7,9H,1,3-4,8H2.
What are the key properties of 1-nitro-3-pent-4-enoxybenzene?
1-nitro-3-pent-4-enoxybenzene has a molecular weight of 207.23 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-pent-4-enoxybenzene is sourced from PubChem (CID 11183362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).