N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H24N2O2 — CID 91763967

IUPACN-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cccn1C(C)C)C1CC(O)C1
InChIInChI=1S/C15H24N2O2/c1-4-13(11-8-12(18)9-11)16-15(19)14-6-5-7-17(14)10(2)3/h5-7,10-13,18H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyXTPCOPPFADMEEA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.35
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 91763967) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID91763967
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cccn1C(C)C)C1CC(O)C1
InChIInChI=1S/C15H24N2O2/c1-4-13(11-8-12(18)9-11)16-15(19)14-6-5-7-17(14)10(2)3/h5-7,10-13,18H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyXTPCOPPFADMEEA-UHFFFAOYSA-N
XLogP2.35
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 91763967) is N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide is CCC(NC(=O)c1cccn1C(C)C)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is XTPCOPPFADMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13(11-8-12(18)9-11)16-15(19)14-6-5-7-17(14)10(2)3/h5-7,10-13,18H,4,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)propyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 91763967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).