[1-(3-nitrophenyl)cyclopropyl]methanol

C10H11NO3 — CID 131010152

IUPAC[1-(3-nitrophenyl)cyclopropyl]methanol
SMILESO=[N+]([O-])c1cccc(C2(CO)CC2)c1
InChIInChI=1S/C10H11NO3/c12-7-10(4-5-10)8-2-1-3-9(6-8)11(13)14/h1-3,6,12H,4-5,7H2
InChIKeyNIQNSTZGNNIBHX-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.62
Rot. Bonds3

About [1-(3-nitrophenyl)cyclopropyl]methanol

[1-(3-nitrophenyl)cyclopropyl]methanol (PubChem CID 131010152) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is [1-(3-nitrophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(3-nitrophenyl)cyclopropyl]methanol
PubChem CID131010152
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name[1-(3-nitrophenyl)cyclopropyl]methanol
SMILESO=[N+]([O-])c1cccc(C2(CO)CC2)c1
InChIInChI=1S/C10H11NO3/c12-7-10(4-5-10)8-2-1-3-9(6-8)11(13)14/h1-3,6,12H,4-5,7H2
InChIKeyNIQNSTZGNNIBHX-UHFFFAOYSA-N
XLogP1.62
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
2-[3-(3-nitrophenyl)oxetan-3-yl]acetohydrazide
CID 139349935
2,4,4,5,5-pentamethyl-2-(3-nitrophenyl)-1,3-dioxolane
CID 10378183
3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 43155325
2-(3-nitrophenyl)spiro[3.4]octan-2-amine
CID 103194024
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
ethyl 2-[3-fluoro-1-(3-nitrophenyl)cyclobutyl]acetate
CID 164869402
2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
CID 103194032
5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane
CID 178119267

Frequently Asked Questions

What is the IUPAC name of [1-(3-nitrophenyl)cyclopropyl]methanol?
The IUPAC name of [1-(3-nitrophenyl)cyclopropyl]methanol (CID 131010152) is [1-(3-nitrophenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(3-nitrophenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(3-nitrophenyl)cyclopropyl]methanol is O=[N+]([O-])c1cccc(C2(CO)CC2)c1.
What is the InChIKey of [1-(3-nitrophenyl)cyclopropyl]methanol?
The InChIKey is NIQNSTZGNNIBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-7-10(4-5-10)8-2-1-3-9(6-8)11(13)14/h1-3,6,12H,4-5,7H2.
What are the key properties of [1-(3-nitrophenyl)cyclopropyl]methanol?
[1-(3-nitrophenyl)cyclopropyl]methanol has a molecular weight of 193.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-nitrophenyl)cyclopropyl]methanol is sourced from PubChem (CID 131010152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).