[(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane

C9H13N — CID 140658024

IUPAC[(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane
SMILES[C-]#[N+]/C(=C\C1CC1)C(C)C
InChIInChI=1S/C9H13N/c1-7(2)9(10-3)6-8-4-5-8/h6-8H,4-5H2,1-2H3/b9-6-
InChIKeyZQYJQQXWWSNUHA-TWGQIWQCSA-N
MW135.21 g/mol
LogP2.86
Rot. Bonds2

About [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane

[(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane (PubChem CID 140658024) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane
PubChem CID140658024
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name[(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane
SMILES[C-]#[N+]/C(=C\C1CC1)C(C)C
InChIInChI=1S/C9H13N/c1-7(2)9(10-3)6-8-4-5-8/h6-8H,4-5H2,1-2H3/b9-6-
InChIKeyZQYJQQXWWSNUHA-TWGQIWQCSA-N
XLogP2.86
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
CID 79334822
2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339426
4-cyclopropyl-N,3-dimethylbut-3-en-2-amine
CID 103093078
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane
CID 79335501
(E)-1-cyclopropylprop-1-en-2-amine
CID 147966539
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 115278136
[2-(chloromethyl)-3-methylbut-1-enyl]cyclohexane
CID 79335620
(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid
CID 70351288
2-(cyclodecylmethylidene)-3-methylbutanoic acid
CID 66700134
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 115278149
(3-methyl-2-nitrobut-1-enyl)cycloheptane
CID 115347820
4-[2-(bromomethyl)-3-methylbut-1-enyl]oxane
CID 79323809

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane?
The IUPAC name of [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane (CID 140658024) is [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane.
What is the SMILES notation for [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane?
The canonical SMILES for [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane is [C-]#[N+]/C(=C\C1CC1)C(C)C.
What is the InChIKey of [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane?
The InChIKey is ZQYJQQXWWSNUHA-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H13N/c1-7(2)9(10-3)6-8-4-5-8/h6-8H,4-5H2,1-2H3/b9-6-.
What are the key properties of [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane?
[(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane has a molecular weight of 135.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-isocyano-3-methylbut-1-enyl]cyclopropane is sourced from PubChem (CID 140658024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).