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

((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid 2-fluoro-ethyl ester
CID 10570871
((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid ethyl ester
CID 10736448
Isopropyl-carbamic acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl ester
CID 10833321
((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid isopropyl ester
CID 10570600
N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
(R)-4-(Boc-amino)cyclohexene
CID 66696471
ethyl N-nonadeca-4,7,10,13-tetraenylcarbamate
CID 49823678
Carbamic acid, 2-cyclohexen-1-yl-, methyl ester
CID 10313230
methyl N-cyclohex-3-en-1-ylcarbamate
CID 11819259

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).