N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide

C11H13NO2 — CID 21304451

IUPACN-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(O)cc2)CC1
InChIInChI=1S/C11H13NO2/c1-11(6-7-11)10(14)12-8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyBTRRICDGKKNRHX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds2

About N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide

N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 21304451) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID21304451
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(O)cc2)CC1
InChIInChI=1S/C11H13NO2/c1-11(6-7-11)10(14)12-8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyBTRRICDGKKNRHX-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide (CID 21304451) is N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2ccc(O)cc2)CC1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is BTRRICDGKKNRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(6-7-11)10(14)12-8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3,(H,12,14).
What are the key properties of N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide?
N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 21304451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).