5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate

C16H29NO2 — CID 123740702

IUPAC5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate
SMILESCCC=CC(CC(CC)OC(=O)NCCC)=C(C)C
InChIInChI=1S/C16H29NO2/c1-6-9-10-14(13(4)5)12-15(8-3)19-16(18)17-11-7-2/h9-10,15H,6-8,11-12H2,1-5H3,(H,17,18)
InChIKeyZTEUPVQROUHAAP-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.59
Rot. Bonds8

About 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate

5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate (PubChem CID 123740702) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate.

Molecular Properties

Compound Name5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate
PubChem CID123740702
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate
SMILESCCC=CC(CC(CC)OC(=O)NCCC)=C(C)C
InChIInChI=1S/C16H29NO2/c1-6-9-10-14(13(4)5)12-15(8-3)19-16(18)17-11-7-2/h9-10,15H,6-8,11-12H2,1-5H3,(H,17,18)
InChIKeyZTEUPVQROUHAAP-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate?
The IUPAC name of 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate (CID 123740702) is 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate.
What is the SMILES notation for 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate?
The canonical SMILES for 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate is CCC=CC(CC(CC)OC(=O)NCCC)=C(C)C.
What is the InChIKey of 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate?
The InChIKey is ZTEUPVQROUHAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-6-9-10-14(13(4)5)12-15(8-3)19-16(18)17-11-7-2/h9-10,15H,6-8,11-12H2,1-5H3,(H,17,18).
What are the key properties of 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate?
5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate has a molecular weight of 267.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate is sourced from PubChem (CID 123740702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).