propan-2-yl N-cyclohex-3-en-1-ylcarbamate

C10H17NO2 — CID 116656490

IUPACpropan-2-yl N-cyclohex-3-en-1-ylcarbamate
SMILESCC(C)OC(=O)NC1CC=CCC1
InChIInChI=1S/C10H17NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)
InChIKeyARRZTGRWZSQICH-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds2

About propan-2-yl N-cyclohex-3-en-1-ylcarbamate

propan-2-yl N-cyclohex-3-en-1-ylcarbamate (PubChem CID 116656490) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is propan-2-yl N-cyclohex-3-en-1-ylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-cyclohex-3-en-1-ylcarbamate
PubChem CID116656490
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namepropan-2-yl N-cyclohex-3-en-1-ylcarbamate
SMILESCC(C)OC(=O)NC1CC=CCC1
InChIInChI=1S/C10H17NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)
InChIKeyARRZTGRWZSQICH-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
CID 79013984
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
propan-2-yl N-cyclooctylcarbamate
CID 116653938
(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
propan-2-yl N-(1-methylazetidin-3-yl)carbamate
CID 131006466
N-cyclohex-3-en-1-ylbut-2-ynamide
CID 130621125
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
3-[[(1R)-cyclohex-3-en-1-yl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 154872471
propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
CID 130694028
3-(propan-2-yloxycarbonylamino)cyclohexane-1-carboxylic acid
CID 63044385
1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129331428

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-cyclohex-3-en-1-ylcarbamate?
The IUPAC name of propan-2-yl N-cyclohex-3-en-1-ylcarbamate (CID 116656490) is propan-2-yl N-cyclohex-3-en-1-ylcarbamate.
What is the SMILES notation for propan-2-yl N-cyclohex-3-en-1-ylcarbamate?
The canonical SMILES for propan-2-yl N-cyclohex-3-en-1-ylcarbamate is CC(C)OC(=O)NC1CC=CCC1.
What is the InChIKey of propan-2-yl N-cyclohex-3-en-1-ylcarbamate?
The InChIKey is ARRZTGRWZSQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,11,12).
What are the key properties of propan-2-yl N-cyclohex-3-en-1-ylcarbamate?
propan-2-yl N-cyclohex-3-en-1-ylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-cyclohex-3-en-1-ylcarbamate is sourced from PubChem (CID 116656490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).