N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide

C9H18N2O2 — CID 74884134

IUPACN-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CNCC1O
InChIInChI=1S/C9H18N2O2/c1-3-4-9(13)11(2)7-5-10-6-8(7)12/h7-8,10,12H,3-6H2,1-2H3
InChIKeyPKNWBMSHBDCDHR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds3

About N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide

N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide (PubChem CID 74884134) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
PubChem CID74884134
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CNCC1O
InChIInChI=1S/C9H18N2O2/c1-3-4-9(13)11(2)7-5-10-6-8(7)12/h7-8,10,12H,3-6H2,1-2H3
InChIKeyPKNWBMSHBDCDHR-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylcarbamate
CID 43596830
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
CID 82987791
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
CID 74884545
N-(azetidin-3-yl)-N-methylhexanamide
CID 66186842
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 43596040
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
CID 114282302
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide
CID 62691246
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 74884160
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
N-(2-bromocyclohexyl)-N-methylbutanamide
CID 102638315
(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
CID 129371186

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide?
The IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide (CID 74884134) is N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide.
What is the SMILES notation for N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide?
The canonical SMILES for N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide is CCCC(=O)N(C)C1CNCC1O.
What is the InChIKey of N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide?
The InChIKey is PKNWBMSHBDCDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-9(13)11(2)7-5-10-6-8(7)12/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide?
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide has a molecular weight of 186.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide is sourced from PubChem (CID 74884134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).