2-butylidene-3-ethylidenebutanedinitrile

C10H12N2 — CID 54047697

IUPAC2-butylidene-3-ethylidenebutanedinitrile
SMILESCC=C(C#N)C(C#N)=CCCC
InChIInChI=1S/C10H12N2/c1-3-5-6-10(8-12)9(4-2)7-11/h4,6H,3,5H2,1-2H3
InChIKeyLQRZWUZQJJEMBL-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.71
Rot. Bonds3

About 2-butylidene-3-ethylidenebutanedinitrile

2-butylidene-3-ethylidenebutanedinitrile (PubChem CID 54047697) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-butylidene-3-ethylidenebutanedinitrile.

Molecular Properties

Compound Name2-butylidene-3-ethylidenebutanedinitrile
PubChem CID54047697
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-butylidene-3-ethylidenebutanedinitrile
SMILESCC=C(C#N)C(C#N)=CCCC
InChIInChI=1S/C10H12N2/c1-3-5-6-10(8-12)9(4-2)7-11/h4,6H,3,5H2,1-2H3
InChIKeyLQRZWUZQJJEMBL-UHFFFAOYSA-N
XLogP2.71
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-2-cyano-N-methylhex-2-enamide
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acetyl 2-cyanohex-2-eneperoxoate
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3-methoxypropyl 2-cyanohex-2-eneperoxoate
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2-methylhex-2-ene;oxalonitrile
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2-cyano-5-propoxypent-2-enoic acid
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2-cyanopent-2-enoic acid
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(E)-2-acetylpent-2-enenitrile;ethane
CID 145095294
2-cyano-6-methylhept-2-enoic acid
CID 57060321
2-cyano-5-(2-hexoxyethoxy)pent-2-enoic acid
CID 175186201
(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile
CID 101430362
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CID 90225877

Frequently Asked Questions

What is the IUPAC name of 2-butylidene-3-ethylidenebutanedinitrile?
The IUPAC name of 2-butylidene-3-ethylidenebutanedinitrile (CID 54047697) is 2-butylidene-3-ethylidenebutanedinitrile.
What is the SMILES notation for 2-butylidene-3-ethylidenebutanedinitrile?
The canonical SMILES for 2-butylidene-3-ethylidenebutanedinitrile is CC=C(C#N)C(C#N)=CCCC.
What is the InChIKey of 2-butylidene-3-ethylidenebutanedinitrile?
The InChIKey is LQRZWUZQJJEMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-5-6-10(8-12)9(4-2)7-11/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-butylidene-3-ethylidenebutanedinitrile?
2-butylidene-3-ethylidenebutanedinitrile has a molecular weight of 160.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylidene-3-ethylidenebutanedinitrile is sourced from PubChem (CID 54047697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).