N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide

C15H23NO — CID 128923951

IUPACN-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide
SMILESCC1(NC(=O)C2CC3(CCC3)C2)CC=CCC1
InChIInChI=1S/C15H23NO/c1-14(6-3-2-4-7-14)16-13(17)12-10-15(11-12)8-5-9-15/h2-3,12H,4-11H2,1H3,(H,16,17)
InChIKeyXKANSKPEZSKVCA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds2

About N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide

N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide (PubChem CID 128923951) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide
PubChem CID128923951
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide
SMILESCC1(NC(=O)C2CC3(CCC3)C2)CC=CCC1
InChIInChI=1S/C15H23NO/c1-14(6-3-2-4-7-14)16-13(17)12-10-15(11-12)8-5-9-15/h2-3,12H,4-11H2,1H3,(H,16,17)
InChIKeyXKANSKPEZSKVCA-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide (CID 128923951) is N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide is CC1(NC(=O)C2CC3(CCC3)C2)CC=CCC1.
What is the InChIKey of N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide?
The InChIKey is XKANSKPEZSKVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(6-3-2-4-7-14)16-13(17)12-10-15(11-12)8-5-9-15/h2-3,12H,4-11H2,1H3,(H,16,17).
What are the key properties of N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide?
N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide has a molecular weight of 233.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 128923951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).