(3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol

C12H12N2O — CID 162985110

IUPAC(3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol
SMILESC=C1c2ccccc2N=C2[C@H](O)CCN12
InChIInChI=1S/C12H12N2O/c1-8-9-4-2-3-5-10(9)13-12-11(15)6-7-14(8)12/h2-5,11,15H,1,6-7H2/t11-/m1/s1
InChIKeyVZMMDLXOQXIQHD-LLVKDONJSA-N
MW200.24 g/mol
LogP1.77
Rot. Bonds

About (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol

(3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol (PubChem CID 162985110) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol.

Molecular Properties

Compound Name(3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol
PubChem CID162985110
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol
SMILESC=C1c2ccccc2N=C2[C@H](O)CCN12
InChIInChI=1S/C12H12N2O/c1-8-9-4-2-3-5-10(9)13-12-11(15)6-7-14(8)12/h2-5,11,15H,1,6-7H2/t11-/m1/s1
InChIKeyVZMMDLXOQXIQHD-LLVKDONJSA-N
XLogP1.77
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol?
The IUPAC name of (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol (CID 162985110) is (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol.
What is the SMILES notation for (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol?
The canonical SMILES for (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol is C=C1c2ccccc2N=C2[C@H](O)CCN12.
What is the InChIKey of (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol?
The InChIKey is VZMMDLXOQXIQHD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-9-4-2-3-5-10(9)13-12-11(15)6-7-14(8)12/h2-5,11,15H,1,6-7H2/t11-/m1/s1.
What are the key properties of (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol?
(3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol has a molecular weight of 200.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol is sourced from PubChem (CID 162985110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).