(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid

C12H19NO2 — CID 18782852

IUPAC(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid
SMILESC=C1C(CNC(=O)O)CC2CC1C2(C)C
InChIInChI=1S/C12H19NO2/c1-7-8(6-13-11(14)15)4-9-5-10(7)12(9,2)3/h8-10,13H,1,4-6H2,2-3H3,(H,14,15)
InChIKeyQOHVTCHOQMUNMJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.49
Rot. Bonds2

About (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid

(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid (PubChem CID 18782852) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid.

Molecular Properties

Compound Name(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid
PubChem CID18782852
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid
SMILESC=C1C(CNC(=O)O)CC2CC1C2(C)C
InChIInChI=1S/C12H19NO2/c1-7-8(6-13-11(14)15)4-9-5-10(7)12(9,2)3/h8-10,13H,1,4-6H2,2-3H3,(H,14,15)
InChIKeyQOHVTCHOQMUNMJ-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S,5S)-3-ethyl-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
CID 90954525
2-[(1S,3R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]ethanol
CID 59918329
2,2,2-trichloro-N-[(1R,3S,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]acetamide
CID 10732733
ethyl 2-[(1R,3R,5S)-6,6-dimethyl-2-oxo-3-bicyclo[3.1.1]heptanyl]acetate;ethyl 2-[(1R,3S,5S)-6,6-dimethyl-2-oxo-3-bicyclo[3.1.1]heptanyl]acetate
CID 162109762
[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate
CID 6224370
(1R,5S)-6,6-dimethyl-3-prop-2-enylbicyclo[3.1.1]heptan-2-one
CID 14396080
(1R,3S,5R)-3-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 142037273
1-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-3-[2-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 166272280
(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid
CID 141182743
N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide
CID 166281371
[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methylcarbamic acid
CID 69005124
N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 166281366

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid?
The IUPAC name of (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid (CID 18782852) is (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid.
What is the SMILES notation for (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid?
The canonical SMILES for (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid is C=C1C(CNC(=O)O)CC2CC1C2(C)C.
What is the InChIKey of (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid?
The InChIKey is QOHVTCHOQMUNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-8(6-13-11(14)15)4-9-5-10(7)12(9,2)3/h8-10,13H,1,4-6H2,2-3H3,(H,14,15).
What are the key properties of (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid?
(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid has a molecular weight of 209.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid is sourced from PubChem (CID 18782852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).