2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone

C10H19N3O — CID 130678878

IUPAC2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCN1CCC2CN(C(=O)CN)CC2C1
InChIInChI=1S/C10H19N3O/c1-12-3-2-8-6-13(10(14)4-11)7-9(8)5-12/h8-9H,2-7,11H2,1H3
InChIKeyCWISRESDJFEBAP-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.64
Rot. Bonds1

About 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone

2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone (PubChem CID 130678878) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone
PubChem CID130678878
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCN1CCC2CN(C(=O)CN)CC2C1
InChIInChI=1S/C10H19N3O/c1-12-3-2-8-6-13(10(14)4-11)7-9(8)5-12/h8-9H,2-7,11H2,1H3
InChIKeyCWISRESDJFEBAP-UHFFFAOYSA-N
XLogP-0.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate
CID 130746814
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone
CID 129495718
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
CID 129498097
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 121203025
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
1-(2-aminoacetyl)piperidine-4-carbonyl chloride
CID 130772227
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)butane-1,3-dione
CID 115559837
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone (CID 130678878) is 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone is CN1CCC2CN(C(=O)CN)CC2C1.
What is the InChIKey of 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone?
The InChIKey is CWISRESDJFEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-3-2-8-6-13(10(14)4-11)7-9(8)5-12/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone?
2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 130678878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).