1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile

C14H23N3O2 — CID 80592828

IUPAC1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-14(6-10,9-15)13(19)17-8-12(18)4-11(17)7-16(2)3/h10-12,18H,4-8H2,1-3H3
InChIKeyRHVNTROZTWZFFQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.45
Rot. Bonds3

About 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (PubChem CID 80592828) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
PubChem CID80592828
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-14(6-10,9-15)13(19)17-8-12(18)4-11(17)7-16(2)3/h10-12,18H,4-8H2,1-3H3
InChIKeyRHVNTROZTWZFFQ-UHFFFAOYSA-N
XLogP0.45
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (CID 80592828) is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CC(O)CC2CN(C)C)C1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The InChIKey is RHVNTROZTWZFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-14(6-10,9-15)13(19)17-8-12(18)4-11(17)7-16(2)3/h10-12,18H,4-8H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 80592828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).