N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide

C9H17NO2 — CID 66980125

IUPACN,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1CO
InChIInChI=1S/C9H17NO2/c1-3-10(4-2)9(12)8-5-7(8)6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyWVDKHPDXUQWZEL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.48
Rot. Bonds4

About N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide

N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 66980125) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID66980125
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1CO
InChIInChI=1S/C9H17NO2/c1-3-10(4-2)9(12)8-5-7(8)6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyWVDKHPDXUQWZEL-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 66980125) is N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide is CCN(CC)C(=O)C1CC1CO.
What is the InChIKey of N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is WVDKHPDXUQWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10(4-2)9(12)8-5-7(8)6-11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide?
N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66980125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).