4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one

C9H18N2O — CID 81070855

IUPAC4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(CN)CC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-8(7-10)6-9(12)11-4-2-3-5-11/h8H,2-7,10H2,1H3
InChIKeyNNXMKKWPPXSFBK-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds3

About 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 81070855) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID81070855
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(CN)CC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-8(7-10)6-9(12)11-4-2-3-5-11/h8H,2-7,10H2,1H3
InChIKeyNNXMKKWPPXSFBK-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 81087263
4-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 81071277
4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
CID 81079240
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
CID 81080784
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 103810666
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 81070855) is 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one is CC(CN)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is NNXMKKWPPXSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(7-10)6-9(12)11-4-2-3-5-11/h8H,2-7,10H2,1H3.
What are the key properties of 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 81070855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).