butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate

C15H19NO2 — CID 175814710

IUPACbutyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate
SMILESCCCCOC(=O)Nc1c2c(cc3c1CC3)CC2
InChIInChI=1S/C15H19NO2/c1-2-3-8-18-15(17)16-14-12-6-4-10(12)9-11-5-7-13(11)14/h9H,2-8H2,1H3,(H,16,17)
InChIKeyXGAURGGYHCQBFB-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.23
Rot. Bonds4

About butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate

butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate (PubChem CID 175814710) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate
PubChem CID175814710
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namebutyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate
SMILESCCCCOC(=O)Nc1c2c(cc3c1CC3)CC2
InChIInChI=1S/C15H19NO2/c1-2-3-8-18-15(17)16-14-12-6-4-10(12)9-11-5-7-13(11)14/h9H,2-8H2,1H3,(H,16,17)
InChIKeyXGAURGGYHCQBFB-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
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butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
3-(butoxycarbonylamino)benzoic acid
CID 70253445
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
butyl N-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)carbamate;2-hydroxypropanoic acid
CID 68610690
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
butyl N-(5-cyano-3-pyridinyl)carbamate
CID 175706193

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate?
The IUPAC name of butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate (CID 175814710) is butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate.
What is the SMILES notation for butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate?
The canonical SMILES for butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate is CCCCOC(=O)Nc1c2c(cc3c1CC3)CC2.
What is the InChIKey of butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate?
The InChIKey is XGAURGGYHCQBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-8-18-15(17)16-14-12-6-4-10(12)9-11-5-7-13(11)14/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate?
butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate has a molecular weight of 245.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate is sourced from PubChem (CID 175814710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).