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

C14H23NO2 — CID 58895224

IUPACpropan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OC(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)17-11(3)4/h5,11,13H,1,6-9H2,2-4H3,(H,15,16)
InChIKeyZLCNHMZQJCMJDC-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.42
Rot. Bonds4

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

propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895224) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895224
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namepropan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OC(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)17-11(3)4/h5,11,13H,1,6-9H2,2-4H3,(H,15,16)
InChIKeyZLCNHMZQJCMJDC-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.42
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 propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895224) is propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is ZLCNHMZQJCMJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)17-11(3)4/h5,11,13H,1,6-9H2,2-4H3,(H,15,16).
What are the key properties of propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).