(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone

C10H14N2O — CID 130527867

IUPAC(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1NCCC1C(=O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O/c1-7-8(4-6-11-7)10(13)9-3-2-5-12-9/h2-3,5,7-8,11-12H,4,6H2,1H3
InChIKeyROKLKEMEXRWCRD-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.20
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone

(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 130527867) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID130527867
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1NCCC1C(=O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O/c1-7-8(4-6-11-7)10(13)9-3-2-5-12-9/h2-3,5,7-8,11-12H,4,6H2,1H3
InChIKeyROKLKEMEXRWCRD-UHFFFAOYSA-N
XLogP1.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone (CID 130527867) is (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone is CC1NCCC1C(=O)c1ccc[nH]1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is ROKLKEMEXRWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-8(4-6-11-7)10(13)9-3-2-5-12-9/h2-3,5,7-8,11-12H,4,6H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone?
(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 178.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 130527867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).