2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone

C10H16N2O — CID 15020430

IUPAC2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CC=CC1
InChIInChI=1S/C10H16N2O/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9/h3-4,9,11H,1-2,5-8H2/t9-/m0/s1
InChIKeyCLNJGDOGWBBKTL-VIFPVBQESA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds1

About 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone

2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone (PubChem CID 15020430) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone
PubChem CID15020430
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CC=CC1
InChIInChI=1S/C10H16N2O/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9/h3-4,9,11H,1-2,5-8H2/t9-/m0/s1
InChIKeyCLNJGDOGWBBKTL-VIFPVBQESA-N
XLogP0.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
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

2,6-Diamino-1-(3,6-dihydro-2H-pyridin-1-yl)-hexan-1-one
CID 44364231
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
N-cyclopropyl-2-[4-(2,5-dihydropyrrol-1-yl)piperidin-1-yl]propanamide
CID 72111255
(2S)-2,6-diamino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 10398241
1-(Piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile
CID 18772246
N-prop-2-enylpiperidine-2-carboxamide
CID 24694421
N,N-bis(prop-2-enyl)piperidine-2-carboxamide
CID 24711394
3-(Prop-2-enylamino)azepan-2-one
CID 43179301
2-(4-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 43556590
(3S)-3-ethyl-1-prop-2-enylpiperazin-2-one
CID 53695096
2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 62655510
2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 62655712

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone (CID 15020430) is 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1)N1CC=CC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone?
The InChIKey is CLNJGDOGWBBKTL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9/h3-4,9,11H,1-2,5-8H2/t9-/m0/s1.
What are the key properties of 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone?
2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone has a molecular weight of 180.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 15020430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).