(1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol

C13H14N2O — CID 142273758

IUPAC(1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol
SMILESO[C@H]1c2ccccc2[C@@H]2C[C@@]12C1=NCCN1
InChIInChI=1S/C13H14N2O/c16-11-9-4-2-1-3-8(9)10-7-13(10,11)12-14-5-6-15-12/h1-4,10-11,16H,5-7H2,(H,14,15)/t10-,11-,13-/m0/s1
InChIKeySUXSKXOPDPAXOV-GVXVVHGQSA-N
MW214.27 g/mol
LogP1.21
Rot. Bonds1

About (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol

(1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol (PubChem CID 142273758) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol.

Molecular Properties

Compound Name(1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol
PubChem CID142273758
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol
SMILESO[C@H]1c2ccccc2[C@@H]2C[C@@]12C1=NCCN1
InChIInChI=1S/C13H14N2O/c16-11-9-4-2-1-3-8(9)10-7-13(10,11)12-14-5-6-15-12/h1-4,10-11,16H,5-7H2,(H,14,15)/t10-,11-,13-/m0/s1
InChIKeySUXSKXOPDPAXOV-GVXVVHGQSA-N
XLogP1.21
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol?
The IUPAC name of (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol (CID 142273758) is (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol.
What is the SMILES notation for (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol?
The canonical SMILES for (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol is O[C@H]1c2ccccc2[C@@H]2C[C@@]12C1=NCCN1.
What is the InChIKey of (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol?
The InChIKey is SUXSKXOPDPAXOV-GVXVVHGQSA-N. The full InChI is InChI=1S/C13H14N2O/c16-11-9-4-2-1-3-8(9)10-7-13(10,11)12-14-5-6-15-12/h1-4,10-11,16H,5-7H2,(H,14,15)/t10-,11-,13-/m0/s1.
What are the key properties of (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol?
(1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol has a molecular weight of 214.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,6S,6aR)-6a-(4,5-dihydro-1H-imidazol-2-yl)-1a,6-dihydro-1H-cyclopropa[a]inden-6-ol is sourced from PubChem (CID 142273758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).