3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol

C11H14N2O3 — CID 125458751

IUPAC3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol
SMILESCc1cc(C2(N)CC(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-7-4-8(2-3-10(7)13(15)16)11(12)5-9(14)6-11/h2-4,9,14H,5-6,12H2,1H3
InChIKeyWNRPXYDISMVVKA-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.21
Rot. Bonds2

About 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol

3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol (PubChem CID 125458751) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol
PubChem CID125458751
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol
SMILESCc1cc(C2(N)CC(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-7-4-8(2-3-10(7)13(15)16)11(12)5-9(14)6-11/h2-4,9,14H,5-6,12H2,1H3
InChIKeyWNRPXYDISMVVKA-UHFFFAOYSA-N
XLogP1.21
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methyl-4-nitrophenyl)cyclopropane-1-carbonitrile
CID 86074691
1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
CID 130545851
4-(3-methyl-4-nitroanilino)cyclohexan-1-ol
CID 43381665
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-(3-methyl-4-nitrophenyl)methanone
CID 112736927
(4-hydroxypiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 9245657
2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine
CID 133357701
1-(3-methyl-4-nitrophenyl)-4-phenylpiperazine
CID 165348222
(NE)-N-[(3-methyl-4-nitrophenyl)methylidene]hydroxylamine
CID 59034617
6-methyl-9-nitro-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 54011727
1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
1,2-dimethyl-4-[4-(3-methyl-4-nitrophenyl)cyclohexyl]benzene
CID 122632001

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol (CID 125458751) is 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol is Cc1cc(C2(N)CC(O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol?
The InChIKey is WNRPXYDISMVVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-4-8(2-3-10(7)13(15)16)11(12)5-9(14)6-11/h2-4,9,14H,5-6,12H2,1H3.
What are the key properties of 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol?
3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol has a molecular weight of 222.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol is sourced from PubChem (CID 125458751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).