N-propan-2-ylspiro[2.3]hexane-2-carboxamide

C10H17NO — CID 130694456

IUPACN-propan-2-ylspiro[2.3]hexane-2-carboxamide
SMILESCC(C)NC(=O)C1CC12CCC2
InChIInChI=1S/C10H17NO/c1-7(2)11-9(12)8-6-10(8)4-3-5-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyYKEIDRLKZUPBRU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds2

About N-propan-2-ylspiro[2.3]hexane-2-carboxamide

N-propan-2-ylspiro[2.3]hexane-2-carboxamide (PubChem CID 130694456) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-propan-2-ylspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylspiro[2.3]hexane-2-carboxamide
PubChem CID130694456
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-propan-2-ylspiro[2.3]hexane-2-carboxamide
SMILESCC(C)NC(=O)C1CC12CCC2
InChIInChI=1S/C10H17NO/c1-7(2)11-9(12)8-6-10(8)4-3-5-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyYKEIDRLKZUPBRU-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylspiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-propan-2-ylspiro[2.3]hexane-2-carboxamide (CID 130694456) is N-propan-2-ylspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-propan-2-ylspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-propan-2-ylspiro[2.3]hexane-2-carboxamide is CC(C)NC(=O)C1CC12CCC2.
What is the InChIKey of N-propan-2-ylspiro[2.3]hexane-2-carboxamide?
The InChIKey is YKEIDRLKZUPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)11-9(12)8-6-10(8)4-3-5-10/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-propan-2-ylspiro[2.3]hexane-2-carboxamide?
N-propan-2-ylspiro[2.3]hexane-2-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 130694456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).