[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine

C5H10N2 — CID 142850922

IUPAC[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine
SMILESNC[C@@H]1C=CCN1
InChIInChI=1S/C5H10N2/c6-4-5-2-1-3-7-5/h1-2,5,7H,3-4,6H2/t5-/m0/s1
InChIKeyHILZADXAUOUISZ-YFKPBYRVSA-N
MW98.15 g/mol
LogP-0.53
Rot. Bonds1

About [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine

[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine (PubChem CID 142850922) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine
PubChem CID142850922
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine
SMILESNC[C@@H]1C=CCN1
InChIInChI=1S/C5H10N2/c6-4-5-2-1-3-7-5/h1-2,5,7H,3-4,6H2/t5-/m0/s1
InChIKeyHILZADXAUOUISZ-YFKPBYRVSA-N
XLogP-0.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethyl-3-pyrroline
CID 101066
7-Azanorbornadiene
CID 138921
(2R,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
CID 7003739
2-Allyl-3-pyrroline
CID 14958845
2-(fluoromethyl)-2,5-dihydro-1H-pyrrolehydrochloride
CID 155821458
(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
CID 7003737
2-methyl-2,5-dihydro-1H-pyrrole
CID 21492268
2-Ethyl-2,5-dihydro-1H-pyrrole
CID 45791180
(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-1-ium
CID 7003736
2-(fluoromethyl)-2,5-dihydro-1H-pyrrole
CID 155821459
1,2,3,6-Tetrahydropyridin-2-ylmethanamine
CID 6389350
trans-2,5-Dimethyl-3-pyrroline
CID 7003741

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine?
The IUPAC name of [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine (CID 142850922) is [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine.
What is the SMILES notation for [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine?
The canonical SMILES for [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine is NC[C@@H]1C=CCN1.
What is the InChIKey of [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine?
The InChIKey is HILZADXAUOUISZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10N2/c6-4-5-2-1-3-7-5/h1-2,5,7H,3-4,6H2/t5-/m0/s1.
What are the key properties of [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine?
[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine has a molecular weight of 98.15 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanamine is sourced from PubChem (CID 142850922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).