1-tert-butyl-2-ethenyl-1-isocyanocyclopropane

C10H15N — CID 169032002

IUPAC1-tert-butyl-2-ethenyl-1-isocyanocyclopropane
SMILES[C-]#[N+]C1(C(C)(C)C)CC1C=C
InChIInChI=1S/C10H15N/c1-6-8-7-10(8,11-5)9(2,3)4/h6,8H,1,7H2,2-4H3
InChIKeyJDSDMWIKKJMQPN-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.90
Rot. Bonds1

About 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane

1-tert-butyl-2-ethenyl-1-isocyanocyclopropane (PubChem CID 169032002) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2-ethenyl-1-isocyanocyclopropane
PubChem CID169032002
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-tert-butyl-2-ethenyl-1-isocyanocyclopropane
SMILES[C-]#[N+]C1(C(C)(C)C)CC1C=C
InChIInChI=1S/C10H15N/c1-6-8-7-10(8,11-5)9(2,3)4/h6,8H,1,7H2,2-4H3
InChIKeyJDSDMWIKKJMQPN-UHFFFAOYSA-N
XLogP2.90
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-ditert-butyl-2-ethenylcyclopropane
CID 59716985
2-ethenylspiro[cyclopropane-1,9'-fluorene]
CID 13264667
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate
CID 59554078
(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane
CID 134934177
cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 68578844
2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane
CID 13298799
1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
CID 59493438
tert-butyl N-[(1S,2S)-2-ethenyl-1-iodocyclopropyl]carbamate
CID 89201848
(2-ethenyl-1-methylcyclobutyl)silane
CID 173136645
(1R,2S)-1-tert-butyl-2-ethenylphosphirane
CID 12930743
(2-ethenyl-1-methylcyclopropyl)methanimine
CID 91437262
trans-(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 10376443

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane?
The IUPAC name of 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane (CID 169032002) is 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane.
What is the SMILES notation for 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane?
The canonical SMILES for 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane is [C-]#[N+]C1(C(C)(C)C)CC1C=C.
What is the InChIKey of 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane?
The InChIKey is JDSDMWIKKJMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-6-8-7-10(8,11-5)9(2,3)4/h6,8H,1,7H2,2-4H3.
What are the key properties of 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane?
1-tert-butyl-2-ethenyl-1-isocyanocyclopropane has a molecular weight of 149.24 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethenyl-1-isocyanocyclopropane is sourced from PubChem (CID 169032002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).