10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol

C14H14N2O2 — CID 14181385

IUPAC10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol
SMILESOCC#CC1(O)C2=NCCCN2c2ccccc21
InChIInChI=1S/C14H14N2O2/c17-10-3-7-14(18)11-5-1-2-6-12(11)16-9-4-8-15-13(14)16/h1-2,5-6,17-18H,4,8-10H2
InChIKeyOCVKCUCOLKVWAL-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.49
Rot. Bonds

About 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol

10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol (PubChem CID 14181385) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol.

Molecular Properties

Compound Name10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol
PubChem CID14181385
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol
SMILESOCC#CC1(O)C2=NCCCN2c2ccccc21
InChIInChI=1S/C14H14N2O2/c17-10-3-7-14(18)11-5-1-2-6-12(11)16-9-4-8-15-13(14)16/h1-2,5-6,17-18H,4,8-10H2
InChIKeyOCVKCUCOLKVWAL-UHFFFAOYSA-N
XLogP0.49
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
The IUPAC name of 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol (CID 14181385) is 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol.
What is the SMILES notation for 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
The canonical SMILES for 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol is OCC#CC1(O)C2=NCCCN2c2ccccc21.
What is the InChIKey of 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
The InChIKey is OCVKCUCOLKVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-10-3-7-14(18)11-5-1-2-6-12(11)16-9-4-8-15-13(14)16/h1-2,5-6,17-18H,4,8-10H2.
What are the key properties of 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol has a molecular weight of 242.28 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hydroxyprop-1-ynyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol is sourced from PubChem (CID 14181385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).