1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine

C14H18N2 — CID 166764113

IUPAC1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESC=C(C)c1cc2c(n1CC1CC1)=NCCC=2
InChIInChI=1S/C14H18N2/c1-10(2)13-8-12-4-3-7-15-14(12)16(13)9-11-5-6-11/h4,8,11H,1,3,5-7,9H2,2H3
InChIKeyYXLCTAJXMAINCN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.74
Rot. Bonds3

About 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine

1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine (PubChem CID 166764113) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine
PubChem CID166764113
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESC=C(C)c1cc2c(n1CC1CC1)=NCCC=2
InChIInChI=1S/C14H18N2/c1-10(2)13-8-12-4-3-7-15-14(12)16(13)9-11-5-6-11/h4,8,11H,1,3,5-7,9H2,2H3
InChIKeyYXLCTAJXMAINCN-UHFFFAOYSA-N
XLogP1.74
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine (CID 166764113) is 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine is C=C(C)c1cc2c(n1CC1CC1)=NCCC=2.
What is the InChIKey of 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is YXLCTAJXMAINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)13-8-12-4-3-7-15-14(12)16(13)9-11-5-6-11/h4,8,11H,1,3,5-7,9H2,2H3.
What are the key properties of 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 214.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-prop-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166764113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).