N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide

C11H16N2O — CID 174075913

IUPACN-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide
SMILESC=CC1=C(/C=C(\C)NC=O)[C@@H](C)CN1
InChIInChI=1S/C11H16N2O/c1-4-11-10(8(2)6-12-11)5-9(3)13-7-14/h4-5,7-8,12H,1,6H2,2-3H3,(H,13,14)/b9-5+/t8-/m0/s1
InChIKeyXGSBPNSDASMSMR-MOIHINDBSA-N
MW192.26 g/mol
LogP1.32
Rot. Bonds4

About N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide

N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide (PubChem CID 174075913) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide
PubChem CID174075913
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide
SMILESC=CC1=C(/C=C(\C)NC=O)[C@@H](C)CN1
InChIInChI=1S/C11H16N2O/c1-4-11-10(8(2)6-12-11)5-9(3)13-7-14/h4-5,7-8,12H,1,6H2,2-3H3,(H,13,14)/b9-5+/t8-/m0/s1
InChIKeyXGSBPNSDASMSMR-MOIHINDBSA-N
XLogP1.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide?
The IUPAC name of N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide (CID 174075913) is N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide.
What is the SMILES notation for N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide?
The canonical SMILES for N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide is C=CC1=C(/C=C(\C)NC=O)[C@@H](C)CN1.
What is the InChIKey of N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide?
The InChIKey is XGSBPNSDASMSMR-MOIHINDBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-11-10(8(2)6-12-11)5-9(3)13-7-14/h4-5,7-8,12H,1,6H2,2-3H3,(H,13,14)/b9-5+/t8-/m0/s1.
What are the key properties of N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide?
N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide has a molecular weight of 192.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[(3R)-5-ethenyl-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]prop-1-en-2-yl]formamide is sourced from PubChem (CID 174075913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).