2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate

C9H16N2O2 — CID 176568416

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate
SMILESCNC(=O)OC1CC2CCCN2C1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)13-8-5-7-3-2-4-11(7)6-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyMDXNEQQFUXAEFW-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds1

About 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate (PubChem CID 176568416) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate
PubChem CID176568416
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate
SMILESCNC(=O)OC1CC2CCCN2C1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)13-8-5-7-3-2-4-11(7)6-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyMDXNEQQFUXAEFW-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
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CID 98202645
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
N-methoxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine
CID 177217356
1-(4-hydroxycyclohexyl)-N-methylpiperidine-3-carboxamide
CID 103198801
N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 116509403
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124990516
methyl (3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboxylate
CID 98041438
methyl (3R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 10583633
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
CID 160957196
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate (CID 176568416) is 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate is CNC(=O)OC1CC2CCCN2C1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate?
The InChIKey is MDXNEQQFUXAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(12)13-8-5-7-3-2-4-11(7)6-8/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate?
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate has a molecular weight of 184.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl N-methylcarbamate is sourced from PubChem (CID 176568416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).