[(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate

C12H19NO2 — CID 155148330

IUPAC[(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate
SMILESC/C1=C/CC[C@@H]2[C@H](CC1)[C@@H]2COC(N)=O
InChIInChI=1S/C12H19NO2/c1-8-3-2-4-9-10(6-5-8)11(9)7-15-12(13)14/h3,9-11H,2,4-7H2,1H3,(H2,13,14)/b8-3-/t9-,10+,11-/m1/s1
InChIKeySDRWOCSKOIJTQO-PGJBYGDZSA-N
MW209.29 g/mol
LogP2.46
Rot. Bonds2

About [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate

[(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate (PubChem CID 155148330) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate.

Molecular Properties

Compound Name[(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate
PubChem CID155148330
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate
SMILESC/C1=C/CC[C@@H]2[C@H](CC1)[C@@H]2COC(N)=O
InChIInChI=1S/C12H19NO2/c1-8-3-2-4-9-10(6-5-8)11(9)7-15-12(13)14/h3,9-11H,2,4-7H2,1H3,(H2,13,14)/b8-3-/t9-,10+,11-/m1/s1
InChIKeySDRWOCSKOIJTQO-PGJBYGDZSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate?
The IUPAC name of [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate (CID 155148330) is [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate.
What is the SMILES notation for [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate?
The canonical SMILES for [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate is C/C1=C/CC[C@@H]2[C@H](CC1)[C@@H]2COC(N)=O.
What is the InChIKey of [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate?
The InChIKey is SDRWOCSKOIJTQO-PGJBYGDZSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-3-2-4-9-10(6-5-8)11(9)7-15-12(13)14/h3,9-11H,2,4-7H2,1H3,(H2,13,14)/b8-3-/t9-,10+,11-/m1/s1.
What are the key properties of [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate?
[(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate has a molecular weight of 209.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4Z,8R,9R)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methyl carbamate is sourced from PubChem (CID 155148330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).