[(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol

C6H11NO — CID 141417336

IUPAC[(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol
SMILESCC1=CN[C@H](CO)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(4-8)7-3-5/h3,6-8H,2,4H2,1H3/t6-/m0/s1
InChIKeyFZWQGZDXQUCCFS-LURJTMIESA-N
MW113.16 g/mol
LogP0.24
Rot. Bonds1

About [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol

[(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol (PubChem CID 141417336) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol
PubChem CID141417336
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol
SMILESCC1=CN[C@H](CO)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(4-8)7-3-5/h3,6-8H,2,4H2,1H3/t6-/m0/s1
InChIKeyFZWQGZDXQUCCFS-LURJTMIESA-N
XLogP0.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylamino)-3-methylidenepentan-1-ol
CID 59110297
[(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
CID 89014166
(E,2S)-2-amino-5-(ethenylamino)-4-methylpent-4-en-1-ol
CID 89028837
(E)-2-amino-5-(ethenylamino)-4-methylpent-4-en-1-ol
CID 89112503
2-(Methylamino)hex-5-en-1-ol
CID 89937108
1,2,3,4-Tetrahydropyridin-2-ylmethanol
CID 90421063
[(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol
CID 91105522
Ethane;4-methyl-2-(methylamino)pent-4-en-1-ol
CID 142030684
(4-methyl-2,3-dihydro-1H-pyrrol-2-yl)methanol
CID 154406268
2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol
CID 156837370
2-(Hydroxymethyl)-4-methyl-1,2-dihydropyrrole-3,3-diol
CID 156837471
(E)-2-amino-5-(dimethylamino)-4-methylpent-4-en-1-ol
CID 55254052

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
The IUPAC name of [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol (CID 141417336) is [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol is CC1=CN[C@H](CO)C1.
What is the InChIKey of [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
The InChIKey is FZWQGZDXQUCCFS-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-6(4-8)7-3-5/h3,6-8H,2,4H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
[(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol has a molecular weight of 113.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 141417336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).