N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine

C12H11NO — CID 144961486

IUPACN-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine
SMILESC=Nc1oc2ccccc2c1/C=C\C
InChIInChI=1S/C12H11NO/c1-3-6-10-9-7-4-5-8-11(9)14-12(10)13-2/h3-8H,2H2,1H3/b6-3-
InChIKeyPDCWQNRBQLAJRV-UTCJRWHESA-N
MW185.23 g/mol
LogP3.80
Rot. Bonds2

About N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine

N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine (PubChem CID 144961486) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine.

Molecular Properties

Compound NameN-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine
PubChem CID144961486
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC NameN-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine
SMILESC=Nc1oc2ccccc2c1/C=C\C
InChIInChI=1S/C12H11NO/c1-3-6-10-9-7-4-5-8-11(9)14-12(10)13-2/h3-8H,2H2,1H3/b6-3-
InChIKeyPDCWQNRBQLAJRV-UTCJRWHESA-N
XLogP3.80
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(Z)-prop-1-enyl]furo[2,3-b]pyridin-2-yl]methanimine
CID 144961435
N-[4-(4-benzo[c]phenanthren-6-yl-6-phenyl-1,3,5-triazin-2-yl)-3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine
CID 175614348
N-[4-[(Z)-prop-1-enyl]quinolin-3-yl]methanimine
CID 131966589
5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
CID 134365271
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 130336629
7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
CID 145373970
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 142106352
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine?
The IUPAC name of N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine (CID 144961486) is N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine.
What is the SMILES notation for N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine?
The canonical SMILES for N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine is C=Nc1oc2ccccc2c1/C=C\C.
What is the InChIKey of N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine?
The InChIKey is PDCWQNRBQLAJRV-UTCJRWHESA-N. The full InChI is InChI=1S/C12H11NO/c1-3-6-10-9-7-4-5-8-11(9)14-12(10)13-2/h3-8H,2H2,1H3/b6-3-.
What are the key properties of N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine?
N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine has a molecular weight of 185.23 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine is sourced from PubChem (CID 144961486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).