(2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile

C20H21NO — CID 71729078

IUPAC(2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile
SMILESC=C(c1ccc2cc(OC)ccc2c1)[C@H](C#N)C1CCCC1
InChIInChI=1S/C20H21NO/c1-14(20(13-21)15-5-3-4-6-15)16-7-8-18-12-19(22-2)10-9-17(18)11-16/h7-12,15,20H,1,3-6H2,2H3/t20-/m0/s1
InChIKeyIBGKBZLMYJUAKU-FQEVSTJZSA-N
MW291.39 g/mol
LogP5.19
Rot. Bonds4

About (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile

(2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile (PubChem CID 71729078) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile
PubChem CID71729078
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile
SMILESC=C(c1ccc2cc(OC)ccc2c1)[C@H](C#N)C1CCCC1
InChIInChI=1S/C20H21NO/c1-14(20(13-21)15-5-3-4-6-15)16-7-8-18-12-19(22-2)10-9-17(18)11-16/h7-12,15,20H,1,3-6H2,2H3/t20-/m0/s1
InChIKeyIBGKBZLMYJUAKU-FQEVSTJZSA-N
XLogP5.19
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile?
The IUPAC name of (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile (CID 71729078) is (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile.
What is the SMILES notation for (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile?
The canonical SMILES for (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile is C=C(c1ccc2cc(OC)ccc2c1)[C@H](C#N)C1CCCC1.
What is the InChIKey of (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile?
The InChIKey is IBGKBZLMYJUAKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO/c1-14(20(13-21)15-5-3-4-6-15)16-7-8-18-12-19(22-2)10-9-17(18)11-16/h7-12,15,20H,1,3-6H2,2H3/t20-/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile?
(2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile has a molecular weight of 291.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-3-(6-methoxynaphthalen-2-yl)but-3-enenitrile is sourced from PubChem (CID 71729078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).