2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one

C10H18N2O — CID 44364338

IUPAC2-amino-1-(2,5-dihydropyrrol-1-yl)-3-methylpentan-1-one
SMILESCCC(C)C(C(=O)N1CC=CC1)N
InChIInChI=1S/C10H18N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h4-5,8-9H,3,6-7,11H2,1-2H3
InChIKeyJYUUCEVKOOBPLE-UHFFFAOYSA-N
MW182.26 g/mol
LogP0.80
Rot. Bonds3

About 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one

2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one (PubChem CID 44364338) has the molecular formula C10H18N2O and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-amino-1-(2,5-dihydropyrrol-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one
PubChem CID44364338
Molecular FormulaC10H18N2O
Molecular Weight182.26 g/mol
Exact Mass182.14
IUPAC Name2-amino-1-(2,5-dihydropyrrol-1-yl)-3-methylpentan-1-one
SMILESCCC(C)C(C(=O)N1CC=CC1)N
InChIInChI=1S/C10H18N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h4-5,8-9H,3,6-7,11H2,1-2H3
InChIKeyJYUUCEVKOOBPLE-UHFFFAOYSA-N
XLogP0.80
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity205

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-1-(2H-pyrrol-1(5H)-yl)pentan-1-one
CID 10845163
(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one
CID 145955754
(3S,6S,12E)-6-methyl-1-(3-methylbutyl)-10-(4-methylpentanoyl)-3-(2-methylpropyl)-1,4,7,10-tetrazacyclotetradec-12-ene-2,5,8-trione
CID 162649428
(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
CID 119324158
(2S,3R)-2-amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one
CID 127046591
(2S)-N-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-4-methyl-2-(3,3,3-trifluoropropanoylamino)pentanamide
CID 166280533
(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide
CID 637160
(3S)-3-butan-2-yl-5-ethyl-1-prop-2-enylpiperazine-2,6-dione
CID 21586962
(2S)-2-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 28197686
2-Amino-2-cyclohexyl-1-(2,5-dihydropyrrol-1-yl)ethanone
CID 10236087

Frequently Asked Questions

What is the IUPAC name of 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one?
The IUPAC name of 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one (CID 44364338) is 2-amino-1-(2,5-dihydropyrrol-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one?
The canonical SMILES for 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one is CCC(C)C(C(=O)N1CC=CC1)N.
What is the InChIKey of 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one?
The InChIKey is JYUUCEVKOOBPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h4-5,8-9H,3,6-7,11H2,1-2H3.
What are the key properties of 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one?
2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one has a molecular weight of 182.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one is sourced from PubChem (CID 44364338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).