propan-2-yl 2-methylpyrrolidine-1-carboxylate

C9H17NO2 — CID 58164988

IUPACpropan-2-yl 2-methylpyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC1C
InChIInChI=1S/C9H17NO2/c1-7(2)12-9(11)10-6-4-5-8(10)3/h7-8H,4-6H2,1-3H3
InChIKeyMVQSLSIULNELLU-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.02
Rot. Bonds1

About propan-2-yl 2-methylpyrrolidine-1-carboxylate

propan-2-yl 2-methylpyrrolidine-1-carboxylate (PubChem CID 58164988) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propan-2-yl 2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methylpyrrolidine-1-carboxylate
PubChem CID58164988
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropan-2-yl 2-methylpyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC1C
InChIInChI=1S/C9H17NO2/c1-7(2)12-9(11)10-6-4-5-8(10)3/h7-8H,4-6H2,1-3H3
InChIKeyMVQSLSIULNELLU-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014
propan-2-yl 3-methyl-1,4-oxazepane-4-carboxylate
CID 130987232
propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 116654854
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 176864232
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
propan-2-yl 2-(trifluoromethyl)azepane-1-carboxylate
CID 177327456
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylpyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 2-methylpyrrolidine-1-carboxylate (CID 58164988) is propan-2-yl 2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2-methylpyrrolidine-1-carboxylate is CC(C)OC(=O)N1CCCC1C.
What is the InChIKey of propan-2-yl 2-methylpyrrolidine-1-carboxylate?
The InChIKey is MVQSLSIULNELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)12-9(11)10-6-4-5-8(10)3/h7-8H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 2-methylpyrrolidine-1-carboxylate?
propan-2-yl 2-methylpyrrolidine-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 58164988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).