N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C17H20N2O — CID 141293016

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C17H20N2O/c1-2-19-7-3-4-12(19)10-18-17(20)14-6-5-13-15-8-11(15)9-16(13)14/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyMHXZLTQJLMQCEF-LBPRGKRZSA-N
MW268.36 g/mol
LogP2.09
Rot. Bonds4

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293016) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293016
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C17H20N2O/c1-2-19-7-3-4-12(19)10-18-17(20)14-6-5-13-15-8-11(15)9-16(13)14/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyMHXZLTQJLMQCEF-LBPRGKRZSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293016) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CCN1CCC[C@H]1CNC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is MHXZLTQJLMQCEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-19-7-3-4-12(19)10-18-17(20)14-6-5-13-15-8-11(15)9-16(13)14/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).