N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide

C9H17NO2 — CID 22287122

IUPACN-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide
SMILESCN(CO)C(=O)C1(C)CC1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)5-9(8,3)7(12)10(4)6-11/h11H,5-6H2,1-4H3
InChIKeyUDSGFNPTFXGSAU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.83
Rot. Bonds2

About N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide

N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide (PubChem CID 22287122) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide
PubChem CID22287122
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide
SMILESCN(CO)C(=O)C1(C)CC1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)5-9(8,3)7(12)10(4)6-11/h11H,5-6H2,1-4H3
InChIKeyUDSGFNPTFXGSAU-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide (CID 22287122) is N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide is CN(CO)C(=O)C1(C)CC1(C)C.
What is the InChIKey of N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide?
The InChIKey is UDSGFNPTFXGSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-9(8,3)7(12)10(4)6-11/h11H,5-6H2,1-4H3.
What are the key properties of N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide?
N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N,1,2,2-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 22287122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).