[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate

C10H20N2O2 — CID 174922381

IUPAC[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
SMILESCC(C)CCN1CCC(OC(N)=O)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)3-5-12-6-4-9(7-12)14-10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyVTLWHFKIGLNRJO-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds4

About [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate

[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate (PubChem CID 174922381) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
PubChem CID174922381
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
SMILESCC(C)CCN1CCC(OC(N)=O)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)3-5-12-6-4-9(7-12)14-10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyVTLWHFKIGLNRJO-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate
CID 175486162
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307
[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069
[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate
CID 67426496
methyl (3R,4S)-4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate
CID 129493249
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 77038741
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate?
The IUPAC name of [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate (CID 174922381) is [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate.
What is the SMILES notation for [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate?
The canonical SMILES for [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate is CC(C)CCN1CCC(OC(N)=O)C1.
What is the InChIKey of [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate?
The InChIKey is VTLWHFKIGLNRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)3-5-12-6-4-9(7-12)14-10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate?
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 174922381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).