(2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide

C16H22N2O3 — CID 156696250

IUPAC(2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide
SMILESCC1/C(=C(/C#N)C(=O)NCC2CC2)CCCC12OCCO2
InChIInChI=1S/C16H22N2O3/c1-11-13(3-2-6-16(11)20-7-8-21-16)14(9-17)15(19)18-10-12-4-5-12/h11-12H,2-8,10H2,1H3,(H,18,19)/b14-13-
InChIKeyRNTRAWPPDXCKHX-YPKPFQOOSA-N
MW290.36 g/mol
LogP1.90
Rot. Bonds3

About (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide

(2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide (PubChem CID 156696250) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide
PubChem CID156696250
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide
SMILESCC1/C(=C(/C#N)C(=O)NCC2CC2)CCCC12OCCO2
InChIInChI=1S/C16H22N2O3/c1-11-13(3-2-6-16(11)20-7-8-21-16)14(9-17)15(19)18-10-12-4-5-12/h11-12H,2-8,10H2,1H3,(H,18,19)/b14-13-
InChIKeyRNTRAWPPDXCKHX-YPKPFQOOSA-N
XLogP1.90
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide?
The IUPAC name of (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide (CID 156696250) is (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide?
The canonical SMILES for (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide is CC1/C(=C(/C#N)C(=O)NCC2CC2)CCCC12OCCO2.
What is the InChIKey of (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide?
The InChIKey is RNTRAWPPDXCKHX-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-13(3-2-6-16(11)20-7-8-21-16)14(9-17)15(19)18-10-12-4-5-12/h11-12H,2-8,10H2,1H3,(H,18,19)/b14-13-.
What are the key properties of (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide?
(2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-(cyclopropylmethyl)-2-(6-methyl-1,4-dioxaspiro[4.5]decan-7-ylidene)acetamide is sourced from PubChem (CID 156696250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).