(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene

C14H21N — CID 123301417

IUPAC(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILES[C-]#[N+]C(C)(C)C1C[C@H](C(=C)C)CC=C1C
InChIInChI=1S/C14H21N/c1-10(2)12-8-7-11(3)13(9-12)14(4,5)15-6/h7,12-13H,1,8-9H2,2-5H3/t12-,13?/m1/s1
InChIKeyUXCHEDXCUPWXGI-PZORYLMUSA-N
MW203.33 g/mol
LogP4.23
Rot. Bonds2

About (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene

(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 123301417) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID123301417
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILES[C-]#[N+]C(C)(C)C1C[C@H](C(=C)C)CC=C1C
InChIInChI=1S/C14H21N/c1-10(2)12-8-7-11(3)13(9-12)14(4,5)15-6/h7,12-13H,1,8-9H2,2-5H3/t12-,13?/m1/s1
InChIKeyUXCHEDXCUPWXGI-PZORYLMUSA-N
XLogP4.23
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.23
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

2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile
CID 140603206
2-methyl-1-(4-methylphenyl)-2-[(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propan-1-one
CID 23659548
(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11789656
(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 14889719
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite
CID 169007971
dimethyl 2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]-2-prop-2-ynylpropanedioate
CID 135071651
ethyl (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carboxylate
CID 102015354
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2,2-dimethylbutanoate
CID 126578927
dimethyl 2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propanedioate
CID 11821550
(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene
CID 101382621
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 118478440
ethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] carbonate
CID 135315960

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 123301417) is (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene is [C-]#[N+]C(C)(C)C1C[C@H](C(=C)C)CC=C1C.
What is the InChIKey of (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is UXCHEDXCUPWXGI-PZORYLMUSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)12-8-7-11(3)13(9-12)14(4,5)15-6/h7,12-13H,1,8-9H2,2-5H3/t12-,13?/m1/s1.
What are the key properties of (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 203.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 123301417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).