1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one

C11H21N3O — CID 79724661

IUPAC1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
SMILESO=C(CCNC1CCNC1)N1CCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-7-1-2-8-14)4-6-13-10-3-5-12-9-10/h10,12-13H,1-9H2
InChIKeyVKGIECFYBRMVAO-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one

1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one (PubChem CID 79724661) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
PubChem CID79724661
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
SMILESO=C(CCNC1CCNC1)N1CCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-7-1-2-8-14)4-6-13-10-3-5-12-9-10/h10,12-13H,1-9H2
InChIKeyVKGIECFYBRMVAO-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
CID 60866002
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one (CID 79724661) is 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one is O=C(CCNC1CCNC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one?
The InChIKey is VKGIECFYBRMVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-11(14-7-1-2-8-14)4-6-13-10-3-5-12-9-10/h10,12-13H,1-9H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one?
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one has a molecular weight of 211.31 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one is sourced from PubChem (CID 79724661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).