1-[(E)-1-nitro-2-phenylethenyl]cycloheptene

C15H17NO2 — CID 10060336

IUPAC1-[(E)-1-nitro-2-phenylethenyl]cycloheptene
SMILESO=[N+]([O-])/C(=C/c1ccccc1)C1=CCCCCC1
InChIInChI=1S/C15H17NO2/c17-16(18)15(12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-10,12H,1-2,6-7,11H2/b15-12+
InChIKeyAVFIBFLIAMVILT-NTCAYCPXSA-N
MW243.31 g/mol
LogP4.19
Rot. Bonds3

About 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene

1-[(E)-1-nitro-2-phenylethenyl]cycloheptene (PubChem CID 10060336) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene.

Molecular Properties

Compound Name1-[(E)-1-nitro-2-phenylethenyl]cycloheptene
PubChem CID10060336
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[(E)-1-nitro-2-phenylethenyl]cycloheptene
SMILESO=[N+]([O-])/C(=C/c1ccccc1)C1=CCCCCC1
InChIInChI=1S/C15H17NO2/c17-16(18)15(12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-10,12H,1-2,6-7,11H2/b15-12+
InChIKeyAVFIBFLIAMVILT-NTCAYCPXSA-N
XLogP4.19
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-(4-methoxyphenyl)-1-nitroethenyl]cycloheptene
CID 10016123
[(E)-2-(3-bromocyclohexen-1-yl)-2-nitroethenyl]benzene
CID 10590893
1,2-bis(1-nitro-2-phenylethenyl)benzene
CID 154163750
[(Z)-2-nitro-2-phenylethenyl]benzene
CID 2818500
2,3-dibenzylidene-1-(cyclohexen-1-yl)-4-phenylbutane-1,4-dione
CID 91405065
[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene
CID 101392256
4-(2-nitro-2-phenylethenyl)aniline
CID 54368133
3-(cyclohexen-1-yl)buta-1,2-dienylbenzene
CID 11390193
[(Z)-2-chloro-2-nitroethenyl]benzene
CID 10877784
2-nitroprop-1-enylbenzene
CID 12807
methyl 2-[(E)-1-nitro-2-phenylethenyl]benzoate
CID 5380215
3-benzylidene-5-(cyclohexen-1-yl)pent-4-yn-2-one
CID 141303782

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene?
The IUPAC name of 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene (CID 10060336) is 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene.
What is the SMILES notation for 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene?
The canonical SMILES for 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene is O=[N+]([O-])/C(=C/c1ccccc1)C1=CCCCCC1.
What is the InChIKey of 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene?
The InChIKey is AVFIBFLIAMVILT-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H17NO2/c17-16(18)15(12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-10,12H,1-2,6-7,11H2/b15-12+.
What are the key properties of 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene?
1-[(E)-1-nitro-2-phenylethenyl]cycloheptene has a molecular weight of 243.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-nitro-2-phenylethenyl]cycloheptene is sourced from PubChem (CID 10060336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).