N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide

C15H20ClN3O2 — CID 66213276

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C15H20ClN3O2/c16-8-6-11(19(7-8)9-3-4-9)15(20)18-13-12(17)10-2-1-5-21-14(10)13/h6-7,9-10,12-14H,1-5,17H2,(H,18,20)
InChIKeyYFYUTYJXVXVFKK-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.71
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 66213276) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
PubChem CID66213276
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C15H20ClN3O2/c16-8-6-11(19(7-8)9-3-4-9)15(20)18-13-12(17)10-2-1-5-21-14(10)13/h6-7,9-10,12-14H,1-5,17H2,(H,18,20)
InChIKeyYFYUTYJXVXVFKK-UHFFFAOYSA-N
XLogP1.71
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879931
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CID 72896687
4-chloro-N-[(R)-(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1-methylpyrrole-2-carboxamide
CID 100029126
4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126427628
4-chloro-N-{[trans-4-(hydroxymethyl)cyclohexyl]methyl}-1-methyl-1H-pyrrole-2-carboxamide
CID 129617565
5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 136539617
4-chloro-N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 164633568
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide
CID 104639315
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610456
4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 18150713
Methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate
CID 43409120
Methyl 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoate
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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide (CID 66213276) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide is NC1C2CCCOC2C1NC(=O)c1cc(Cl)cn1C1CC1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is YFYUTYJXVXVFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-8-6-11(19(7-8)9-3-4-9)15(20)18-13-12(17)10-2-1-5-21-14(10)13/h6-7,9-10,12-14H,1-5,17H2,(H,18,20).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 66213276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).