[4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate

C16H23NO3 — CID 89233422

IUPAC[4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate
SMILESC=CCN(CC=C)C(=O)C1C=CC(OC(=O)CC)CC1
InChIInChI=1S/C16H23NO3/c1-4-11-17(12-5-2)16(19)13-7-9-14(10-8-13)20-15(18)6-3/h4-5,7,9,13-14H,1-2,6,8,10-12H2,3H3
InChIKeyRNUZHRCVCKHNOQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds7

About [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate

[4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate (PubChem CID 89233422) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate.

Molecular Properties

Compound Name[4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate
PubChem CID89233422
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate
SMILESC=CCN(CC=C)C(=O)C1C=CC(OC(=O)CC)CC1
InChIInChI=1S/C16H23NO3/c1-4-11-17(12-5-2)16(19)13-7-9-14(10-8-13)20-15(18)6-3/h4-5,7,9,13-14H,1-2,6,8,10-12H2,3H3
InChIKeyRNUZHRCVCKHNOQ-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate?
The IUPAC name of [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate (CID 89233422) is [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate.
What is the SMILES notation for [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate?
The canonical SMILES for [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate is C=CCN(CC=C)C(=O)C1C=CC(OC(=O)CC)CC1.
What is the InChIKey of [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate?
The InChIKey is RNUZHRCVCKHNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-17(12-5-2)16(19)13-7-9-14(10-8-13)20-15(18)6-3/h4-5,7,9,13-14H,1-2,6,8,10-12H2,3H3.
What are the key properties of [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate?
[4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(prop-2-enyl)carbamoyl]cyclohex-2-en-1-yl] propanoate is sourced from PubChem (CID 89233422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).