9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]

C13H13ClN2O2 — CID 21284812

IUPAC9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]
SMILESClc1cccc2c1C1(OCCO1)C1=NCCCN12
InChIInChI=1S/C13H13ClN2O2/c14-9-3-1-4-10-11(9)13(17-7-8-18-13)12-15-5-2-6-16(10)12/h1,3-4H,2,5-8H2
InChIKeyUFOALRAGYXGUIE-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.16
Rot. Bonds

About 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]

9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole] (PubChem CID 21284812) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole].

Molecular Properties

Compound Name9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]
PubChem CID21284812
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]
SMILESClc1cccc2c1C1(OCCO1)C1=NCCCN12
InChIInChI=1S/C13H13ClN2O2/c14-9-3-1-4-10-11(9)13(17-7-8-18-13)12-15-5-2-6-16(10)12/h1,3-4H,2,5-8H2
InChIKeyUFOALRAGYXGUIE-UHFFFAOYSA-N
XLogP2.16
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]?
The IUPAC name of 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole] (CID 21284812) is 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole].
What is the SMILES notation for 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]?
The canonical SMILES for 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole] is Clc1cccc2c1C1(OCCO1)C1=NCCCN12.
What is the InChIKey of 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]?
The InChIKey is UFOALRAGYXGUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-9-3-1-4-10-11(9)13(17-7-8-18-13)12-15-5-2-6-16(10)12/h1,3-4H,2,5-8H2.
What are the key properties of 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]?
9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole] has a molecular weight of 264.71 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-chlorospiro[1,3-dioxolane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole] is sourced from PubChem (CID 21284812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).