N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide

C16H27NO — CID 14336923

IUPACN-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide
SMILESCC(C)C1=C[C@@]2(CC[C@@](C)(NC=O)C2)[C@H](C)CC1
InChIInChI=1S/C16H27NO/c1-12(2)14-6-5-13(3)16(9-14)8-7-15(4,10-16)17-11-18/h9,11-13H,5-8,10H2,1-4H3,(H,17,18)/t13-,15-,16-/m1/s1
InChIKeyNLOXORYANZABDO-FVQBIDKESA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds3

About N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide

N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide (PubChem CID 14336923) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide.

Molecular Properties

Compound NameN-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide
PubChem CID14336923
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide
SMILESCC(C)C1=C[C@@]2(CC[C@@](C)(NC=O)C2)[C@H](C)CC1
InChIInChI=1S/C16H27NO/c1-12(2)14-6-5-13(3)16(9-14)8-7-15(4,10-16)17-11-18/h9,11-13H,5-8,10H2,1-4H3,(H,17,18)/t13-,15-,16-/m1/s1
InChIKeyNLOXORYANZABDO-FVQBIDKESA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide?
The IUPAC name of N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide (CID 14336923) is N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide.
What is the SMILES notation for N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide?
The canonical SMILES for N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide is CC(C)C1=C[C@@]2(CC[C@@](C)(NC=O)C2)[C@H](C)CC1.
What is the InChIKey of N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide?
The InChIKey is NLOXORYANZABDO-FVQBIDKESA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)14-6-5-13(3)16(9-14)8-7-15(4,10-16)17-11-18/h9,11-13H,5-8,10H2,1-4H3,(H,17,18)/t13-,15-,16-/m1/s1.
What are the key properties of N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide?
N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide has a molecular weight of 249.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide is sourced from PubChem (CID 14336923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).