2-(3-methylbut-2-en-2-yl)pent-2-enenitrile

C10H15N — CID 123508857

IUPAC2-(3-methylbut-2-en-2-yl)pent-2-enenitrile
SMILESCCC=C(C#N)C(C)=C(C)C
InChIInChI=1S/C10H15N/c1-5-6-10(7-11)9(4)8(2)3/h6H,5H2,1-4H3
InChIKeyMZGCGLYRSILOJY-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile

2-(3-methylbut-2-en-2-yl)pent-2-enenitrile (PubChem CID 123508857) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile.

Molecular Properties

Compound Name2-(3-methylbut-2-en-2-yl)pent-2-enenitrile
PubChem CID123508857
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-(3-methylbut-2-en-2-yl)pent-2-enenitrile
SMILESCCC=C(C#N)C(C)=C(C)C
InChIInChI=1S/C10H15N/c1-5-6-10(7-11)9(4)8(2)3/h6H,5H2,1-4H3
InChIKeyMZGCGLYRSILOJY-UHFFFAOYSA-N
XLogP3.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-acetylpent-2-enenitrile;ethane
CID 145095294
2-cyanopent-2-enoic acid
CID 53421663
(Z)-2-methylpent-2-enenitrile
CID 5352199
(Z)-2-hydroxypent-2-enenitrile
CID 19939991
(Z)-2-aminopent-2-enenitrile
CID 21160287
(E)-2-ethylpent-2-enenitrile
CID 5358335
prop-2-enoyl 2-cyanopent-2-enoate
CID 175040176
(Z)-2-formylpent-2-enenitrile
CID 166820774
2-butylidene-3-ethylidenebutanedinitrile
CID 54047697
(E)-5-hydroxy-2-methylpent-2-enenitrile
CID 14266437
carbon dioxide;2-methylpent-2-ene
CID 174340897
(2Z,3E,5E)-5-phenyl-2-propylidene-3-(trifluoromethyl)hepta-3,5-dienenitrile
CID 166528334

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile?
The IUPAC name of 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile (CID 123508857) is 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile.
What is the SMILES notation for 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile?
The canonical SMILES for 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile is CCC=C(C#N)C(C)=C(C)C.
What is the InChIKey of 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile?
The InChIKey is MZGCGLYRSILOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-6-10(7-11)9(4)8(2)3/h6H,5H2,1-4H3.
What are the key properties of 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile?
2-(3-methylbut-2-en-2-yl)pent-2-enenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-en-2-yl)pent-2-enenitrile is sourced from PubChem (CID 123508857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).