N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide

C12H22N2O3 — CID 136531054

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-14-6-2-3-10(14)11(16)13-12(9-15)4-7-17-8-5-12/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyWULMSQUQCGLNCN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.26
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 136531054) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
PubChem CID136531054
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-14-6-2-3-10(14)11(16)13-12(9-15)4-7-17-8-5-12/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyWULMSQUQCGLNCN-UHFFFAOYSA-N
XLogP-0.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
CID 170597623
CID 170597623
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide
CID 126768877
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106296979
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide (CID 136531054) is N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is WULMSQUQCGLNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14-6-2-3-10(14)11(16)13-12(9-15)4-7-17-8-5-12/h10,15H,2-9H2,1H3,(H,13,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136531054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).