[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone

C15H20N2O — CID 3064685

IUPAC[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESNC[C@@H]1C[C@]1(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-11-13-10-15(13,12-6-2-1-3-7-12)14(18)17-8-4-5-9-17/h1-3,6-7,13H,4-5,8-11,16H2/t13-,15-/m0/s1
InChIKeyWDLBUKLHPSKQTF-ZFWWWQNUSA-N
MW244.34 g/mol
LogP1.53
Rot. Bonds3

About [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone

[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 3064685) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID3064685
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESNC[C@@H]1C[C@]1(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-11-13-10-15(13,12-6-2-1-3-7-12)14(18)17-8-4-5-9-17/h1-3,6-7,13H,4-5,8-11,16H2/t13-,15-/m0/s1
InChIKeyWDLBUKLHPSKQTF-ZFWWWQNUSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide
CID 3033807
(2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 58550489
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 45114208
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;dihydrochloride
CID 73416954
cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 154730551
2-(aminomethyl)-N-bromo-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 143278586
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;hydron;chloride
CID 67108486
cis-(1S,2R)-2-(aminomethyl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclopropane-1-carboxamide
CID 129009853
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide sulfate
CID 25173688
1-(4-chlorophenyl)-2-[[4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 68770758
1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 175899155
cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone (CID 3064685) is [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone is NC[C@@H]1C[C@]1(C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WDLBUKLHPSKQTF-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H20N2O/c16-11-13-10-15(13,12-6-2-1-3-7-12)14(18)17-8-4-5-9-17/h1-3,6-7,13H,4-5,8-11,16H2/t13-,15-/m0/s1.
What are the key properties of [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone?
[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 244.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3064685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).