4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine

C11H14N2 — CID 123832563

IUPAC4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC=c1[nH]cc(C2=CCNCC2)c1=C
InChIInChI=1S/C11H14N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h3,7,12-13H,1-2,4-6H2
InChIKeyNBVPURRSAFVKCW-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.21
Rot. Bonds1

About 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine

4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 123832563) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID123832563
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC=c1[nH]cc(C2=CCNCC2)c1=C
InChIInChI=1S/C11H14N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h3,7,12-13H,1-2,4-6H2
InChIKeyNBVPURRSAFVKCW-UHFFFAOYSA-N
XLogP0.21
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Benz[ed]indolin
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N'-[1-(7-fluoro-5,6-dihydro-1H-indol-3-yl)ethenyl]-N-hexylpentane-1,5-diamine
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6-(2-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine
CID 146351401
5,6-difluoro-2,3,4,5-tetrahydro-1H-indole
CID 147930375
3-Fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine
CID 175565397
6-Fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene
CID 175704272

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine (CID 123832563) is 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine is C=c1[nH]cc(C2=CCNCC2)c1=C.
What is the InChIKey of 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is NBVPURRSAFVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h3,7,12-13H,1-2,4-6H2.
What are the key properties of 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine?
4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 174.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123832563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).