(3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine

C11H16N2 — CID 178009396

IUPAC(3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine
SMILESC=C/C=C1/C=CN(C(C)C)/C1=N\C
InChIInChI=1S/C11H16N2/c1-5-6-10-7-8-13(9(2)3)11(10)12-4/h5-9H,1H2,2-4H3/b10-6-,12-11-
InChIKeyMEDVCCKWYHYQBL-RCGVWGGBSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds2

About (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine

(3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine (PubChem CID 178009396) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine
PubChem CID178009396
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine
SMILESC=C/C=C1/C=CN(C(C)C)/C1=N\C
InChIInChI=1S/C11H16N2/c1-5-6-10-7-8-13(9(2)3)11(10)12-4/h5-9H,1H2,2-4H3/b10-6-,12-11-
InChIKeyMEDVCCKWYHYQBL-RCGVWGGBSA-N
XLogP2.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine?
The IUPAC name of (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine (CID 178009396) is (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine.
What is the SMILES notation for (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine?
The canonical SMILES for (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine is C=C/C=C1/C=CN(C(C)C)/C1=N\C.
What is the InChIKey of (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine?
The InChIKey is MEDVCCKWYHYQBL-RCGVWGGBSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-6-10-7-8-13(9(2)3)11(10)12-4/h5-9H,1H2,2-4H3/b10-6-,12-11-.
What are the key properties of (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine?
(3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine is sourced from PubChem (CID 178009396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).