1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine

C10H14N2O — CID 43535731

IUPAC1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)c1ccco1
InChIInChI=1S/C10H14N2O/c1-8(9-4-3-7-13-9)12-6-2-5-10(12)11/h3-4,7-8,11H,2,5-6H2,1H3/b11-10+
InChIKeyVIIGVQZNVUDQDQ-ZHACJKMWSA-N
MW178.24 g/mol
LogP2.41
Rot. Bonds2

About 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine

1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine (PubChem CID 43535731) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine
PubChem CID43535731
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)c1ccco1
InChIInChI=1S/C10H14N2O/c1-8(9-4-3-7-13-9)12-6-2-5-10(12)11/h3-4,7-8,11H,2,5-6H2,1H3/b11-10+
InChIKeyVIIGVQZNVUDQDQ-ZHACJKMWSA-N
XLogP2.41
TPSA40.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 1219935
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
CID 43535702
4-[1-(furan-2-yl)ethyl]thiomorpholine
CID 130749822
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-amine
CID 43535712
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
N-[1-(furan-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689581
1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane
CID 54973303
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine (CID 43535731) is 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1C(C)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine?
The InChIKey is VIIGVQZNVUDQDQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(9-4-3-7-13-9)12-6-2-5-10(12)11/h3-4,7-8,11H,2,5-6H2,1H3/b11-10+.
What are the key properties of 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine?
1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine has a molecular weight of 178.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine is sourced from PubChem (CID 43535731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).