6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine

C14H18N2 — CID 70981813

IUPAC6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNc2cc(C3=CCCC3)ncc21
InChIInChI=1S/C14H18N2/c1-14(2)9-16-13-7-12(15-8-11(13)14)10-5-3-4-6-10/h5,7-8,16H,3-4,6,9H2,1-2H3
InChIKeyFZRLBEXCJRVKPK-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.35
Rot. Bonds1

About 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine

6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine (PubChem CID 70981813) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
PubChem CID70981813
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNc2cc(C3=CCCC3)ncc21
InChIInChI=1S/C14H18N2/c1-14(2)9-16-13-7-12(15-8-11(13)14)10-5-3-4-6-10/h5,7-8,16H,3-4,6,9H2,1-2H3
InChIKeyFZRLBEXCJRVKPK-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine (CID 70981813) is 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine is CC1(C)CNc2cc(C3=CCCC3)ncc21.
What is the InChIKey of 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is FZRLBEXCJRVKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2)9-16-13-7-12(15-8-11(13)14)10-5-3-4-6-10/h5,7-8,16H,3-4,6,9H2,1-2H3.
What are the key properties of 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 214.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 70981813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).