[(2-pent-1-ynylanilino)-phenylmethylidene]chromium

C18H17CrN — CID 11761956

IUPAC[(2-pent-1-ynylanilino)-phenylmethylidene]chromium
SMILESCCCC#Cc1ccccc1NC(=[Cr])c1ccccc1
InChIInChI=1S/C18H17N.Cr/c1-2-3-5-12-17-13-8-9-14-18(17)19-15-16-10-6-4-7-11-16;/h4,6-11,13-14,19H,2-3H2,1H3;
InChIKeyFUCCZAZJQSWTKO-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.98
Rot. Bonds4

About [(2-pent-1-ynylanilino)-phenylmethylidene]chromium

[(2-pent-1-ynylanilino)-phenylmethylidene]chromium (PubChem CID 11761956) has the molecular formula C18H17CrN and a molecular weight of 299.34 g/mol. Its IUPAC name is [(2-pent-1-ynylanilino)-phenylmethylidene]chromium.

Molecular Properties

Compound Name[(2-pent-1-ynylanilino)-phenylmethylidene]chromium
PubChem CID11761956
Molecular FormulaC18H17CrN
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name[(2-pent-1-ynylanilino)-phenylmethylidene]chromium
SMILESCCCC#Cc1ccccc1NC(=[Cr])c1ccccc1
InChIInChI=1S/C18H17N.Cr/c1-2-3-5-12-17-13-8-9-14-18(17)19-15-16-10-6-4-7-11-16;/h4,6-11,13-14,19H,2-3H2,1H3;
InChIKeyFUCCZAZJQSWTKO-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pent-1-ynyl-N-propan-2-ylaniline
CID 146240108
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940347
2-pent-1-ynylbenzoic acid
CID 10419975
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
N-[(2-pent-1-ynylphenyl)methyl]aniline
CID 101378600
2-fluoro-N-(2-hex-1-ynylphenyl)benzamide
CID 102450592
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
CID 82987618
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594

Frequently Asked Questions

What is the IUPAC name of [(2-pent-1-ynylanilino)-phenylmethylidene]chromium?
The IUPAC name of [(2-pent-1-ynylanilino)-phenylmethylidene]chromium (CID 11761956) is [(2-pent-1-ynylanilino)-phenylmethylidene]chromium.
What is the SMILES notation for [(2-pent-1-ynylanilino)-phenylmethylidene]chromium?
The canonical SMILES for [(2-pent-1-ynylanilino)-phenylmethylidene]chromium is CCCC#Cc1ccccc1NC(=[Cr])c1ccccc1.
What is the InChIKey of [(2-pent-1-ynylanilino)-phenylmethylidene]chromium?
The InChIKey is FUCCZAZJQSWTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N.Cr/c1-2-3-5-12-17-13-8-9-14-18(17)19-15-16-10-6-4-7-11-16;/h4,6-11,13-14,19H,2-3H2,1H3;.
What are the key properties of [(2-pent-1-ynylanilino)-phenylmethylidene]chromium?
[(2-pent-1-ynylanilino)-phenylmethylidene]chromium has a molecular weight of 299.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-pent-1-ynylanilino)-phenylmethylidene]chromium is sourced from PubChem (CID 11761956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).