butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

C15H25NO2 — CID 58895202

IUPACbutan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OC(C)CC)CC1
InChIInChI=1S/C15H25NO2/c1-5-12(4)18-15(17)16-10-13-6-8-14(9-7-13)11(2)3/h6,12,14H,2,5,7-10H2,1,3-4H3,(H,16,17)
InChIKeyVJJPHSMJNQCETC-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.81
Rot. Bonds5

About butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895202) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895202
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Namebutan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OC(C)CC)CC1
InChIInChI=1S/C15H25NO2/c1-5-12(4)18-15(17)16-10-13-6-8-14(9-7-13)11(2)3/h6,12,14H,2,5,7-10H2,1,3-4H3,(H,16,17)
InChIKeyVJJPHSMJNQCETC-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895202) is butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OC(C)CC)CC1.
What is the InChIKey of butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is VJJPHSMJNQCETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12(4)18-15(17)16-10-13-6-8-14(9-7-13)11(2)3/h6,12,14H,2,5,7-10H2,1,3-4H3,(H,16,17).
What are the key properties of butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 251.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).