N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine

C14H18N2O2 — CID 123830481

IUPACN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine
SMILESCOC[C@@H]1CCCN1N=C1OCc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-17-10-12-6-4-8-16(12)15-14-13-7-3-2-5-11(13)9-18-14/h2-3,5,7,12H,4,6,8-10H2,1H3/t12-/m0/s1
InChIKeyOARWEFHYWKAODX-LBPRGKRZSA-N
MW246.31 g/mol
LogP1.99
Rot. Bonds3

About N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine

N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine (PubChem CID 123830481) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine.

Molecular Properties

Compound NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine
PubChem CID123830481
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine
SMILESCOC[C@@H]1CCCN1N=C1OCc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-17-10-12-6-4-8-16(12)15-14-13-7-3-2-5-11(13)9-18-14/h2-3,5,7,12H,4,6,8-10H2,1H3/t12-/m0/s1
InChIKeyOARWEFHYWKAODX-LBPRGKRZSA-N
XLogP1.99
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine
CID 10589584
(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine
CID 10922226
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 122519285
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
CID 11009150
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304
4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 101088592
(E,2S,4R,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-phenyl-6-prop-2-enyl-1,3-dioxan-5-imine
CID 11024393
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-4-imine
CID 177488855
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 177427534

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine?
The IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine (CID 123830481) is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine.
What is the SMILES notation for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine?
The canonical SMILES for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine is COC[C@@H]1CCCN1N=C1OCc2ccccc21.
What is the InChIKey of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine?
The InChIKey is OARWEFHYWKAODX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-10-12-6-4-8-16(12)15-14-13-7-3-2-5-11(13)9-18-14/h2-3,5,7,12H,4,6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine?
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine has a molecular weight of 246.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine is sourced from PubChem (CID 123830481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).