2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol

C12H21NO — CID 130964592

IUPAC2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)C2C=CCN2)CCCCC1
InChIInChI=1S/C12H21NO/c1-12(7-3-2-4-8-12)11(14)10-6-5-9-13-10/h5-6,10-11,13-14H,2-4,7-9H2,1H3
InChIKeyLGWIHASHWAUIDP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds2

About 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol

2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol (PubChem CID 130964592) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol
PubChem CID130964592
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)C2C=CCN2)CCCCC1
InChIInChI=1S/C12H21NO/c1-12(7-3-2-4-8-12)11(14)10-6-5-9-13-10/h5-6,10-11,13-14H,2-4,7-9H2,1H3
InChIKeyLGWIHASHWAUIDP-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol (CID 130964592) is 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol is CC1(C(O)C2C=CCN2)CCCCC1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol?
The InChIKey is LGWIHASHWAUIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(7-3-2-4-8-12)11(14)10-6-5-9-13-10/h5-6,10-11,13-14H,2-4,7-9H2,1H3.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol?
2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol has a molecular weight of 195.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 130964592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).