4,4-dimethylpent-2-enenitrile

C7H11N — CID 564983

IUPAC4,4-dimethylpent-2-enenitrile
SMILESCC(C)(C)C=CC#N
InChIInChI=1S/C7H11N/c1-7(2,3)5-4-6-8/h4-5H,1-3H3
InChIKeyGCTNTYCHYKCHEK-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.11
Rot. Bonds

About 4,4-dimethylpent-2-enenitrile

4,4-dimethylpent-2-enenitrile (PubChem CID 564983) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4,4-dimethylpent-2-enenitrile.

Molecular Properties

Compound Name4,4-dimethylpent-2-enenitrile
PubChem CID564983
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4,4-dimethylpent-2-enenitrile
SMILESCC(C)(C)C=CC#N
InChIInChI=1S/C7H11N/c1-7(2,3)5-4-6-8/h4-5H,1-3H3
InChIKeyGCTNTYCHYKCHEK-UHFFFAOYSA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5,5-dimethylhex-3-enenitrile
CID 643805
6,6-dimethylhept-4-en-2-ynal
CID 165359067
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile
CID 101169649
(E)-(413C)but-2-enenitrile
CID 10986149
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
(Z,2S,4R)-7-cyano-2,4-dihydroxy-5,5-dimethylhept-6-enamide
CID 57342426
(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262
(E)-4,4-dimethylpent-2-ene
CID 159305896
tert-butyl (Z)-3-cyanoprop-2-enoate;prop-2-enoic acid
CID 174963265
3-methoxyprop-2-enenitrile
CID 2723755
methanol;prop-2-enenitrile
CID 19700097

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-2-enenitrile?
The IUPAC name of 4,4-dimethylpent-2-enenitrile (CID 564983) is 4,4-dimethylpent-2-enenitrile.
What is the SMILES notation for 4,4-dimethylpent-2-enenitrile?
The canonical SMILES for 4,4-dimethylpent-2-enenitrile is CC(C)(C)C=CC#N.
What is the InChIKey of 4,4-dimethylpent-2-enenitrile?
The InChIKey is GCTNTYCHYKCHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2,3)5-4-6-8/h4-5H,1-3H3.
What are the key properties of 4,4-dimethylpent-2-enenitrile?
4,4-dimethylpent-2-enenitrile has a molecular weight of 109.17 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-2-enenitrile is sourced from PubChem (CID 564983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).