(E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide

C16H29NO2 — CID 163732566

IUPAC(E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide
SMILESCC(C)(C)C1CCCCC(/C=C/C(=O)NO)CCC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)14-9-5-4-7-13(8-6-10-14)11-12-15(18)17-19/h11-14,19H,4-10H2,1-3H3,(H,17,18)/b12-11+
InChIKeyLAVJNIVOWMFJFL-VAWYXSNFSA-N
MW267.41 g/mol
LogP4.07
Rot. Bonds2

About (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide

(E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide (PubChem CID 163732566) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide
PubChem CID163732566
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide
SMILESCC(C)(C)C1CCCCC(/C=C/C(=O)NO)CCC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)14-9-5-4-7-13(8-6-10-14)11-12-15(18)17-19/h11-14,19H,4-10H2,1-3H3,(H,17,18)/b12-11+
InChIKeyLAVJNIVOWMFJFL-VAWYXSNFSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide (CID 163732566) is (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide is CC(C)(C)C1CCCCC(/C=C/C(=O)NO)CCC1.
What is the InChIKey of (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide?
The InChIKey is LAVJNIVOWMFJFL-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,3)14-9-5-4-7-13(8-6-10-14)11-12-15(18)17-19/h11-14,19H,4-10H2,1-3H3,(H,17,18)/b12-11+.
What are the key properties of (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide?
(E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide has a molecular weight of 267.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-tert-butylcyclononyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 163732566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).