N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide

C15H24N2O3 — CID 110126014

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cccn2C)[C@H]1O
InChIInChI=1S/C15H24N2O3/c1-16-10-6-8-12(16)15(19)17(2)11-7-4-5-9-13(20-3)14(11)18/h6,8,10-11,13-14,18H,4-5,7,9H2,1-3H3/t11-,13-,14-/m1/s1
InChIKeyMARMOJBANPRZNL-MRVWCRGKSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 110126014) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID110126014
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cccn2C)[C@H]1O
InChIInChI=1S/C15H24N2O3/c1-16-10-6-8-12(16)15(19)17(2)11-7-4-5-9-13(20-3)14(11)18/h6,8,10-11,13-14,18H,4-5,7,9H2,1-3H3/t11-,13-,14-/m1/s1
InChIKeyMARMOJBANPRZNL-MRVWCRGKSA-N
XLogP1.42
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide (CID 110126014) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide is CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cccn2C)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is MARMOJBANPRZNL-MRVWCRGKSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-10-6-8-12(16)15(19)17(2)11-7-4-5-9-13(20-3)14(11)18/h6,8,10-11,13-14,18H,4-5,7,9H2,1-3H3/t11-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 110126014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).