5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one

C10H16N2O — CID 104807003

IUPAC5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
SMILESCC#CCCNCC1CCC(=O)N1
InChIInChI=1S/C10H16N2O/c1-2-3-4-7-11-8-9-5-6-10(13)12-9/h9,11H,4-8H2,1H3,(H,12,13)
InChIKeyRYHXIPHHGOLISO-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.27
Rot. Bonds4

About 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one

5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one (PubChem CID 104807003) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
PubChem CID104807003
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
SMILESCC#CCCNCC1CCC(=O)N1
InChIInChI=1S/C10H16N2O/c1-2-3-4-7-11-8-9-5-6-10(13)12-9/h9,11H,4-8H2,1H3,(H,12,13)
InChIKeyRYHXIPHHGOLISO-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
5-pent-3-ynylpyrrolidin-2-one
CID 11217347
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
2,2-dimethyl-4-[(5-oxopyrrolidin-2-yl)methylamino]butanenitrile
CID 65253327
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
CID 107529858
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737
5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529723

Frequently Asked Questions

What is the IUPAC name of 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one (CID 104807003) is 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one is CC#CCCNCC1CCC(=O)N1.
What is the InChIKey of 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one?
The InChIKey is RYHXIPHHGOLISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-4-7-11-8-9-5-6-10(13)12-9/h9,11H,4-8H2,1H3,(H,12,13).
What are the key properties of 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one?
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104807003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).