1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol

C11H20N2O — CID 130510890

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(C2C=CCN2)CC1
InChIInChI=1S/C11H20N2O/c1-12-9-4-6-11(14,7-5-9)10-3-2-8-13-10/h2-3,9-10,12-14H,4-8H2,1H3
InChIKeyPOCLYBUNEKFWNP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.41
Rot. Bonds2

About 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol

1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol (PubChem CID 130510890) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol
PubChem CID130510890
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(C2C=CCN2)CC1
InChIInChI=1S/C11H20N2O/c1-12-9-4-6-11(14,7-5-9)10-3-2-8-13-10/h2-3,9-10,12-14H,4-8H2,1H3
InChIKeyPOCLYBUNEKFWNP-UHFFFAOYSA-N
XLogP0.41
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol (CID 130510890) is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol is CNC1CCC(O)(C2C=CCN2)CC1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol?
The InChIKey is POCLYBUNEKFWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-9-4-6-11(14,7-5-9)10-3-2-8-13-10/h2-3,9-10,12-14H,4-8H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol?
1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 130510890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).