benzyl carbamate;cyclohexanecarbaldehyde

C15H21NO3 — CID 142103337

IUPACbenzyl carbamate;cyclohexanecarbaldehyde
SMILESNC(=O)OCc1ccccc1.O=CC1CCCCC1
InChIInChI=1S/C8H9NO2.C7H12O/c9-8(10)11-6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10);6-7H,1-5H2
InChIKeyFIQHICVMGNRMDR-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.05
Rot. Bonds3

About benzyl carbamate;cyclohexanecarbaldehyde

benzyl carbamate;cyclohexanecarbaldehyde (PubChem CID 142103337) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl carbamate;cyclohexanecarbaldehyde.

Molecular Properties

Compound Namebenzyl carbamate;cyclohexanecarbaldehyde
PubChem CID142103337
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl carbamate;cyclohexanecarbaldehyde
SMILESNC(=O)OCc1ccccc1.O=CC1CCCCC1
InChIInChI=1S/C8H9NO2.C7H12O/c9-8(10)11-6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10);6-7H,1-5H2
InChIKeyFIQHICVMGNRMDR-UHFFFAOYSA-N
XLogP3.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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benzyl carbamate;N-prop-2-enylcyclohexanamine
CID 156861851
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CID 157283088
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl carbamate;piperidine-2,6-dione
CID 174491425
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
CID 71733448
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline
CID 164539589
benzyl (1S)-2-oxocyclohexane-1-carboxylate
CID 69403132
(4-phenylphenyl)methyl carbamate
CID 123751479
benzene;cyclohexanecarbaldehyde
CID 174845063

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;cyclohexanecarbaldehyde?
The IUPAC name of benzyl carbamate;cyclohexanecarbaldehyde (CID 142103337) is benzyl carbamate;cyclohexanecarbaldehyde.
What is the SMILES notation for benzyl carbamate;cyclohexanecarbaldehyde?
The canonical SMILES for benzyl carbamate;cyclohexanecarbaldehyde is NC(=O)OCc1ccccc1.O=CC1CCCCC1.
What is the InChIKey of benzyl carbamate;cyclohexanecarbaldehyde?
The InChIKey is FIQHICVMGNRMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C7H12O/c9-8(10)11-6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10);6-7H,1-5H2.
What are the key properties of benzyl carbamate;cyclohexanecarbaldehyde?
benzyl carbamate;cyclohexanecarbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;cyclohexanecarbaldehyde is sourced from PubChem (CID 142103337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).