N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine

C9H16N2O — CID 2123866

IUPACN-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1CN=C(NC[C@H]2CCCO2)C1
InChIInChI=1S/C9H16N2O/c1-4-9(10-5-1)11-7-8-3-2-6-12-8/h8H,1-7H2,(H,10,11)/t8-/m1/s1
InChIKeyJLHIIZFVTACDEJ-MRVPVSSYSA-N
MW168.24 g/mol
LogP0.95
Rot. Bonds2

About N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2123866) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2123866
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1CN=C(NC[C@H]2CCCO2)C1
InChIInChI=1S/C9H16N2O/c1-4-9(10-5-1)11-7-8-3-2-6-12-8/h8H,1-7H2,(H,10,11)/t8-/m1/s1
InChIKeyJLHIIZFVTACDEJ-MRVPVSSYSA-N
XLogP0.95
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507708
N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508242
N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601377
3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 81037138
N-(oxolan-2-ylmethyl)thiatriazol-5-amine
CID 86210692
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601297
6-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43115518
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 2123866) is N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine is C1CN=C(NC[C@H]2CCCO2)C1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is JLHIIZFVTACDEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9(10-5-1)11-7-8-3-2-6-12-8/h8H,1-7H2,(H,10,11)/t8-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2123866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).