[(E)-2-nitrobut-1-enyl]cyclopropane

C7H11NO2 — CID 62313805

IUPAC[(E)-2-nitrobut-1-enyl]cyclopropane
SMILESCC/C(=C\C1CC1)[N+](=O)[O-]
InChIInChI=1S/C7H11NO2/c1-2-7(8(9)10)5-6-3-4-6/h5-6H,2-4H2,1H3/b7-5+
InChIKeyPTIQHOVLECGUHT-FNORWQNLSA-N
MW141.17 g/mol
LogP1.97
Rot. Bonds3

About [(E)-2-nitrobut-1-enyl]cyclopropane

[(E)-2-nitrobut-1-enyl]cyclopropane (PubChem CID 62313805) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [(E)-2-nitrobut-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-2-nitrobut-1-enyl]cyclopropane
PubChem CID62313805
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[(E)-2-nitrobut-1-enyl]cyclopropane
SMILESCC/C(=C\C1CC1)[N+](=O)[O-]
InChIInChI=1S/C7H11NO2/c1-2-7(8(9)10)5-6-3-4-6/h5-6H,2-4H2,1H3/b7-5+
InChIKeyPTIQHOVLECGUHT-FNORWQNLSA-N
XLogP1.97
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.97
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

(4-methyl-2-nitropent-1-enyl)cyclopentane
CID 76948794
(Z)-N,N-dimethyl-2-nitrobut-1-en-1-amine
CID 118006038
1,1,1-trichloro-3-nitropent-2-ene
CID 131879242
2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane
CID 10880132
1-tert-butyl-4-(2-nitroprop-1-enyl)cyclohexane
CID 104575812
(Z)-4-nitrohex-3-enoic acid
CID 123431582
4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine
CID 102168301
tert-butyl (4S)-3-methyl-4-[(E)-2-nitrobut-1-enyl]pyrrolidine-1-carboxylate
CID 142233418
1-[(3E,5E)-6-nitroocta-3,5-dien-3-yl]azetidin-3-ol
CID 142109101
ethane;ethene;(E)-3-nitrohept-3-ene
CID 143326374
(4E)-4-(cyclopropylmethylidene)nonan-3-one
CID 25063160
(3-methyl-2-nitrobut-1-enyl)cycloheptane
CID 115347820

Frequently Asked Questions

What is the IUPAC name of [(E)-2-nitrobut-1-enyl]cyclopropane?
The IUPAC name of [(E)-2-nitrobut-1-enyl]cyclopropane (CID 62313805) is [(E)-2-nitrobut-1-enyl]cyclopropane.
What is the SMILES notation for [(E)-2-nitrobut-1-enyl]cyclopropane?
The canonical SMILES for [(E)-2-nitrobut-1-enyl]cyclopropane is CC/C(=C\C1CC1)[N+](=O)[O-].
What is the InChIKey of [(E)-2-nitrobut-1-enyl]cyclopropane?
The InChIKey is PTIQHOVLECGUHT-FNORWQNLSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-7(8(9)10)5-6-3-4-6/h5-6H,2-4H2,1H3/b7-5+.
What are the key properties of [(E)-2-nitrobut-1-enyl]cyclopropane?
[(E)-2-nitrobut-1-enyl]cyclopropane has a molecular weight of 141.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-nitrobut-1-enyl]cyclopropane is sourced from PubChem (CID 62313805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).