ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene

C19H47NO2 — CID 143371812

IUPACethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene
SMILESC/C=C(\C)[N+](=O)[O-].C=C.C=CC.CC.CC.CC.CC.CC
InChIInChI=1S/C4H7NO2.C3H6.5C2H6.C2H4/c1-3-4(2)5(6)7;1-3-2;6*1-2/h3H,1-2H3;3H,1H2,2H3;5*1-2H3;1-2H2/b4-3+;;;;;;;
InChIKeyYSAPBRNOAMQPOL-JLTWRGFHSA-N
MW321.59 g/mol
LogP8.31
Rot. Bonds1

About ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene

ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene (PubChem CID 143371812) has the molecular formula C19H47NO2 and a molecular weight of 321.59 g/mol. Its IUPAC name is ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene.

Molecular Properties

Compound Nameethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene
PubChem CID143371812
Molecular FormulaC19H47NO2
Molecular Weight321.59 g/mol
Exact Mass321.36
IUPAC Nameethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene
SMILESC/C=C(\C)[N+](=O)[O-].C=C.C=CC.CC.CC.CC.CC.CC
InChIInChI=1S/C4H7NO2.C3H6.5C2H6.C2H4/c1-3-4(2)5(6)7;1-3-2;6*1-2/h3H,1-2H3;3H,1H2,2H3;5*1-2H3;1-2H2/b4-3+;;;;;;;
InChIKeyYSAPBRNOAMQPOL-JLTWRGFHSA-N
XLogP8.31
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 58.31
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

(3E,5E)-3-(bromomethyl)-6-nitrohepta-1,3,5-triene
CID 87160514
(3Z,5E)-4-methyl-5-nitrohepta-1,3,5-triene
CID 143929994
diazanium;prop-1-ene;diacetate
CID 159968490
ethane;(3E,5Z)-4-nitrohepta-1,3,5-triene
CID 142929729
ethane;(Z,2Z)-2-(1-nitroethylidene)pent-3-enal
CID 144649081
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;bis(prop-1-ene)
CID 91426438
ethane;tetrakis(prop-1-ene)
CID 90918926
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
3-nitrobut-3-en-2-ylidenetungsten
CID 59740835
(Z)-2-(1-nitroethenoxy)but-2-ene
CID 88571009

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene?
The IUPAC name of ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene (CID 143371812) is ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene.
What is the SMILES notation for ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene?
The canonical SMILES for ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene is C/C=C(\C)[N+](=O)[O-].C=C.C=CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene?
The InChIKey is YSAPBRNOAMQPOL-JLTWRGFHSA-N. The full InChI is InChI=1S/C4H7NO2.C3H6.5C2H6.C2H4/c1-3-4(2)5(6)7;1-3-2;6*1-2/h3H,1-2H3;3H,1H2,2H3;5*1-2H3;1-2H2/b4-3+;;;;;;;.
What are the key properties of ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene?
ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene has a molecular weight of 321.59 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene is sourced from PubChem (CID 143371812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).