N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide

C10H17NO3 — CID 115885935

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC1(CO)CC1
InChIInChI=1S/C10H17NO3/c1-7-8(2-5-14-7)9(13)11-10(6-12)3-4-10/h7-8,12H,2-6H2,1H3,(H,11,13)
InChIKeyDOAUGJJXUMELKD-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.05
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide (PubChem CID 115885935) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
PubChem CID115885935
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC1(CO)CC1
InChIInChI=1S/C10H17NO3/c1-7-8(2-5-14-7)9(13)11-10(6-12)3-4-10/h7-8,12H,2-6H2,1H3,(H,11,13)
InChIKeyDOAUGJJXUMELKD-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 79759322
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
CID 79760323
(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 129374190
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114303934
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114314618
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
N-(1-cyano-4-ethylcyclohexyl)-2-methyloxolane-3-carboxamide
CID 79759562

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide (CID 115885935) is N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide?
The InChIKey is DOAUGJJXUMELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-8(2-5-14-7)9(13)11-10(6-12)3-4-10/h7-8,12H,2-6H2,1H3,(H,11,13).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 115885935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).