1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide

C14H23N3O — CID 114081975

IUPAC1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C2CCCCCC2C#N)C1
InChIInChI=1S/C14H23N3O/c1-14(13(16)18)7-8-17(10-14)12-6-4-2-3-5-11(12)9-15/h11-12H,2-8,10H2,1H3,(H2,16,18)
InChIKeyLDDLPOCENXPNHD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide

1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 114081975) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID114081975
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C2CCCCCC2C#N)C1
InChIInChI=1S/C14H23N3O/c1-14(13(16)18)7-8-17(10-14)12-6-4-2-3-5-11(12)9-15/h11-12H,2-8,10H2,1H3,(H2,16,18)
InChIKeyLDDLPOCENXPNHD-UHFFFAOYSA-N
XLogP1.66
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide (CID 114081975) is 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(C2CCCCCC2C#N)C1.
What is the InChIKey of 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is LDDLPOCENXPNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(13(16)18)7-8-17(10-14)12-6-4-2-3-5-11(12)9-15/h11-12H,2-8,10H2,1H3,(H2,16,18).
What are the key properties of 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide?
1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114081975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).